5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H21ClN2O — CID 83264030

IUPAC5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCC1N1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-11-4-2-7-14(11)20-15(12-5-3-6-13(18)10-12)19-17(8-9-17)16(20)21/h3,5-6,10-11,14-15,19H,2,4,7-9H2,1H3
InChIKeyQQRSKRTWBSNIIG-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.49
Rot. Bonds2

About 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83264030) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83264030
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCC1N1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-11-4-2-7-14(11)20-15(12-5-3-6-13(18)10-12)19-17(8-9-17)16(20)21/h3,5-6,10-11,14-15,19H,2,4,7-9H2,1H3
InChIKeyQQRSKRTWBSNIIG-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83264030) is 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1CCCC1N1C(=O)C2(CC2)NC1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QQRSKRTWBSNIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11-4-2-7-14(11)20-15(12-5-3-6-13(18)10-12)19-17(8-9-17)16(20)21/h3,5-6,10-11,14-15,19H,2,4,7-9H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 304.82 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83264030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).