ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one

C11H21NO — CID 145226486

IUPACethane;3-(propan-2-ylamino)cyclohex-2-en-1-one
SMILESCC.CC(C)NC1=CC(=O)CCC1
InChIInChI=1S/C9H15NO.C2H6/c1-7(2)10-8-4-3-5-9(11)6-8;1-2/h6-7,10H,3-5H2,1-2H3;1-2H3
InChIKeyANFWNWYVSUHPFI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds2

About ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one

ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one (PubChem CID 145226486) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Nameethane;3-(propan-2-ylamino)cyclohex-2-en-1-one
PubChem CID145226486
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;3-(propan-2-ylamino)cyclohex-2-en-1-one
SMILESCC.CC(C)NC1=CC(=O)CCC1
InChIInChI=1S/C9H15NO.C2H6/c1-7(2)10-8-4-3-5-9(11)6-8;1-2/h6-7,10H,3-5H2,1-2H3;1-2H3
InChIKeyANFWNWYVSUHPFI-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-(propan-2-ylamino)cyclohex-2-en-1-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 ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one?
The IUPAC name of ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one (CID 145226486) is ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one.
What is the SMILES notation for ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one?
The canonical SMILES for ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one is CC.CC(C)NC1=CC(=O)CCC1.
What is the InChIKey of ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one?
The InChIKey is ANFWNWYVSUHPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-7(2)10-8-4-3-5-9(11)6-8;1-2/h6-7,10H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one?
ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(propan-2-ylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 145226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).