7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

C17H21ClN2O — CID 24758862

IUPAC7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(c2ccccc2Cl)CCC12CCCN2CC1CC1
InChIInChI=1S/C17H21ClN2O/c18-14-4-1-2-5-15(14)20-11-9-17(16(20)21)8-3-10-19(17)12-13-6-7-13/h1-2,4-5,13H,3,6-12H2
InChIKeyMVPBIWQJQASYPA-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.32
Rot. Bonds3

About 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24758862) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24758862
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(c2ccccc2Cl)CCC12CCCN2CC1CC1
InChIInChI=1S/C17H21ClN2O/c18-14-4-1-2-5-15(14)20-11-9-17(16(20)21)8-3-10-19(17)12-13-6-7-13/h1-2,4-5,13H,3,6-12H2
InChIKeyMVPBIWQJQASYPA-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (CID 24758862) is 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(c2ccccc2Cl)CCC12CCCN2CC1CC1.
What is the InChIKey of 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is MVPBIWQJQASYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-4-1-2-5-15(14)20-11-9-17(16(20)21)8-3-10-19(17)12-13-6-7-13/h1-2,4-5,13H,3,6-12H2.
What are the key properties of 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 304.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-1-(cyclopropylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24758862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).