7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N2O2 — CID 72936641

IUPAC7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)11-16(21)20-10-8-18(13-20)7-4-9-19(17(18)22)12-15-5-3-6-15/h11,15H,3-10,12-13H2,1-2H3
InChIKeyCONVPCBEPPATJQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.59
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72936641) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72936641
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)11-16(21)20-10-8-18(13-20)7-4-9-19(17(18)22)12-15-5-3-6-15/h11,15H,3-10,12-13H2,1-2H3
InChIKeyCONVPCBEPPATJQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72936641) is 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)=CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CONVPCBEPPATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)11-16(21)20-10-8-18(13-20)7-4-9-19(17(18)22)12-15-5-3-6-15/h11,15H,3-10,12-13H2,1-2H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.43 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 7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72936641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).