9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H32N2O2 — CID 97126724

IUPAC9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C[C@H]1CC=CCC1)CC2
InChIInChI=1S/C19H32N2O2/c1-23-14-13-21-16-19(8-7-18(21)22)9-11-20(12-10-19)15-17-5-3-2-4-6-17/h2-3,17H,4-16H2,1H3/t17-/m0/s1
InChIKeyLQDJCDPAXCQERS-KRWDZBQOSA-N
MW320.48 g/mol
LogP2.69
Rot. Bonds5

About 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97126724) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97126724
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C[C@H]1CC=CCC1)CC2
InChIInChI=1S/C19H32N2O2/c1-23-14-13-21-16-19(8-7-18(21)22)9-11-20(12-10-19)15-17-5-3-2-4-6-17/h2-3,17H,4-16H2,1H3/t17-/m0/s1
InChIKeyLQDJCDPAXCQERS-KRWDZBQOSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.69
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

2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
2-(2-methoxyethyl)-9-[(3S)-3-methylsulfanylbutyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97143626
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 42501749
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
2-(2-methoxyethyl)-9-[(3R)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98897249
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897253
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264

Frequently Asked Questions

What is the IUPAC name of 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97126724) is 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C[C@H]1CC=CCC1)CC2.
What is the InChIKey of 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LQDJCDPAXCQERS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-23-14-13-21-16-19(8-7-18(21)22)9-11-20(12-10-19)15-17-5-3-2-4-6-17/h2-3,17H,4-16H2,1H3/t17-/m0/s1.
What are the key properties of 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97126724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).