(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N2O — CID 97125303

IUPAC(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC#CCN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N2O/c1-2-3-4-11-19-13-10-18(15-19)9-6-12-20(17(18)21)14-16-7-5-8-16/h16H,2,5-15H2,1H3/t18-/m0/s1
InChIKeyYRLUHSRSTQUJLK-SFHVURJKSA-N
MW288.43 g/mol
LogP2.51
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97125303) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97125303
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC#CCN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N2O/c1-2-3-4-11-19-13-10-18(15-19)9-6-12-20(17(18)21)14-16-7-5-8-16/h16H,2,5-15H2,1H3/t18-/m0/s1
InChIKeyYRLUHSRSTQUJLK-SFHVURJKSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one (CID 97125303) is (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one is CCC#CCN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YRLUHSRSTQUJLK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-11-19-13-10-18(15-19)9-6-12-20(17(18)21)14-16-7-5-8-16/h16H,2,5-15H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 288.43 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)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97125303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).