(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

C19H28N2O2 — CID 98897572

IUPAC(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CC=CC1)N1CCC[C@@]2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H28N2O2/c22-17(16-4-1-2-5-16)20-11-3-8-19(9-12-20)10-13-21(18(19)23)14-15-6-7-15/h1-2,15-16H,3-14H2/t19-/m1/s1
InChIKeyFOJYOEIXYNGEBQ-LJQANCHMSA-N
MW316.44 g/mol
LogP2.59
Rot. Bonds3

About (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98897572) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98897572
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CC=CC1)N1CCC[C@@]2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H28N2O2/c22-17(16-4-1-2-5-16)20-11-3-8-19(9-12-20)10-13-21(18(19)23)14-15-6-7-15/h1-2,15-16H,3-14H2/t19-/m1/s1
InChIKeyFOJYOEIXYNGEBQ-LJQANCHMSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897609
(5R)-N-cyclopropyl-2-(cyclopropylmethyl)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490032
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131650241
cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
CID 71929830
N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
CID 98897256
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449792
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449175
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98897572) is (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C(C1CC=CC1)N1CCC[C@@]2(CC1)CCN(CC1CC1)C2=O.
What is the InChIKey of (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is FOJYOEIXYNGEBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-17(16-4-1-2-5-16)20-11-3-8-19(9-12-20)10-13-21(18(19)23)14-15-6-7-15/h1-2,15-16H,3-14H2/t19-/m1/s1.
What are the key properties of (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98897572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).