2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one

C24H26N2O2 — CID 160974546

IUPAC2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
SMILESO=C(C=C1CCC1)Nc1ccccc1.O=C1CC2(CCC2)c2ccccc2N1
InChIInChI=1S/2C12H13NO/c14-11-8-12(6-3-7-12)9-4-1-2-5-10(9)13-11;14-12(9-10-5-4-6-10)13-11-7-2-1-3-8-11/h1-2,4-5H,3,6-8H2,(H,13,14);1-3,7-9H,4-6H2,(H,13,14)
InChIKeySYRPAHGJCANZBW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.19
Rot. Bonds2

About 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one

2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one (PubChem CID 160974546) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
PubChem CID160974546
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
SMILESO=C(C=C1CCC1)Nc1ccccc1.O=C1CC2(CCC2)c2ccccc2N1
InChIInChI=1S/2C12H13NO/c14-11-8-12(6-3-7-12)9-4-1-2-5-10(9)13-11;14-12(9-10-5-4-6-10)13-11-7-2-1-3-8-11/h1-2,4-5H,3,6-8H2,(H,13,14);1-3,7-9H,4-6H2,(H,13,14)
InChIKeySYRPAHGJCANZBW-UHFFFAOYSA-N
XLogP5.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
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 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The IUPAC name of 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one (CID 160974546) is 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one.
What is the SMILES notation for 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The canonical SMILES for 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one is O=C(C=C1CCC1)Nc1ccccc1.O=C1CC2(CCC2)c2ccccc2N1.
What is the InChIKey of 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The InChIKey is SYRPAHGJCANZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO/c14-11-8-12(6-3-7-12)9-4-1-2-5-10(9)13-11;14-12(9-10-5-4-6-10)13-11-7-2-1-3-8-11/h1-2,4-5H,3,6-8H2,(H,13,14);1-3,7-9H,4-6H2,(H,13,14).
What are the key properties of 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one has a molecular weight of 374.48 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-phenylacetamide;spiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one is sourced from PubChem (CID 160974546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).