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

C18H26N2O2 — CID 97393928

IUPAC(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2/t18-/m0/s1
InChIKeyBWUKPUMXMALAIV-SFHVURJKSA-N
MW302.42 g/mol
LogP2.51
Rot. Bonds3

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

(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97393928) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97393928
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESC=CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2/t18-/m0/s1
InChIKeyBWUKPUMXMALAIV-SFHVURJKSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.51
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)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one (CID 97393928) is (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is C=CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2.
What is the InChIKey of (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BWUKPUMXMALAIV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-12-20-16(21)8-10-18(20)9-5-13-19(14-11-18)17(22)15-6-3-4-7-15/h2-4,15H,1,5-14H2/t18-/m0/s1.
What are the key properties of (5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.51, 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)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97393928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).