(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C23H36N2O2 — CID 42302108

IUPAC(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C23H36N2O2/c26-21(16-19-8-3-1-4-9-19)25-15-13-23(18-25)12-7-14-24(22(23)27)17-20-10-5-2-6-11-20/h8,20H,1-7,9-18H2/t23-/m0/s1
InChIKeyASOWAMMRXPJWCU-QHCPKHFHSA-N
MW372.55 g/mol
LogP4.30
Rot. Bonds4

About (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42302108) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42302108
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C23H36N2O2/c26-21(16-19-8-3-1-4-9-19)25-15-13-23(18-25)12-7-14-24(22(23)27)17-20-10-5-2-6-11-20/h8,20H,1-7,9-18H2/t23-/m0/s1
InChIKeyASOWAMMRXPJWCU-QHCPKHFHSA-N
XLogP4.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42302108) is (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CC1=CCCCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ASOWAMMRXPJWCU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H36N2O2/c26-21(16-19-8-3-1-4-9-19)25-15-13-23(18-25)12-7-14-24(22(23)27)17-20-10-5-2-6-11-20/h8,20H,1-7,9-18H2/t23-/m0/s1.
What are the key properties of (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.55 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42302108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).