cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone

C19H30N2O2 — CID 97482154

IUPACcyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
SMILESCOC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2
InChIInChI=1S/C19H30N2O2/c1-23-12-17-11-20(10-15-6-7-15)13-19(17)8-9-21(14-19)18(22)16-4-2-3-5-16/h2-3,15-17H,4-14H2,1H3/t17-,19-/m1/s1
InChIKeyGIGODZHKBOZAEJ-IEBWSBKVSA-N
MW318.46 g/mol
LogP2.16
Rot. Bonds5

About cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone

cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97482154) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
PubChem CID97482154
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Namecyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
SMILESCOC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2
InChIInChI=1S/C19H30N2O2/c1-23-12-17-11-20(10-15-6-7-15)13-19(17)8-9-21(14-19)18(22)16-4-2-3-5-16/h2-3,15-17H,4-14H2,1H3/t17-,19-/m1/s1
InChIKeyGIGODZHKBOZAEJ-IEBWSBKVSA-N
XLogP2.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125213110
1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922119
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(5-methylthiophen-2-yl)methanone
CID 97484929
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851937
1-[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 155830688
cyclopent-3-en-1-yl-[(4R)-4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124789157
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(2-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155850977
cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 171152294
(3-hydroxycyclobutyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131682884
[(4R,5S)-2-ethyl-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 125230055
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155827240

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone (CID 97482154) is cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone is COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2.
What is the InChIKey of cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is GIGODZHKBOZAEJ-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-23-12-17-11-20(10-15-6-7-15)13-19(17)8-9-21(14-19)18(22)16-4-2-3-5-16/h2-3,15-17H,4-14H2,1H3/t17-,19-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone?
cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 318.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).