9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one

C17H28N2O2 — CID 110196191

IUPAC9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
SMILESCCC(=O)N1CCC2(CCC(=O)N(CC3CC3)CC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-15(20)18-10-7-17(8-11-18)6-5-16(21)19(12-9-17)13-14-3-4-14/h14H,2-13H2,1H3
InChIKeyJEWSMHFOJIWCIS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds3

About 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one

9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one (PubChem CID 110196191) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
PubChem CID110196191
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
SMILESCCC(=O)N1CCC2(CCC(=O)N(CC3CC3)CC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-15(20)18-10-7-17(8-11-18)6-5-16(21)19(12-9-17)13-14-3-4-14/h14H,2-13H2,1H3
InChIKeyJEWSMHFOJIWCIS-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one (CID 110196191) is 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one is CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)CC2)CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The InChIKey is JEWSMHFOJIWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-15(20)18-10-7-17(8-11-18)6-5-16(21)19(12-9-17)13-14-3-4-14/h14H,2-13H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one has a molecular weight of 292.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 110196191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).