CID 163370495

C12H18NO — CID 163370495

IUPAC—
SMILESC#CCC1(C[CH2])CCCN(C(C)=O)C1
InChIInChI=1S/C12H18NO/c1-4-7-12(5-2)8-6-9-13(10-12)11(3)14/h1H,2,5-10H2,3H3
InChIKeyDWLZZNBLZLDXKJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.86
Rot. Bonds2

About CID 163370495

CID 163370495 (PubChem CID 163370495) has the molecular formula C12H18NO and a molecular weight of 192.28 g/mol.

Molecular Properties

Compound NameCID 163370495
PubChem CID163370495
Molecular FormulaC12H18NO
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Name—
SMILESC#CCC1(C[CH2])CCCN(C(C)=O)C1
InChIInChI=1S/C12H18NO/c1-4-7-12(5-2)8-6-9-13(10-12)11(3)14/h1H,2,5-10H2,3H3
InChIKeyDWLZZNBLZLDXKJ-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 163370495 with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(azetidin-1-yl)ethanone
CID 14061673
1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-(3-fluoro-3-methylsulfanylpiperidin-1-yl)ethanone
CID 167008492
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
1-(2,2-dimethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79271799

Frequently Asked Questions

What is the IUPAC name of CID 163370495?
The IUPAC name of CID 163370495 (CID 163370495) is not available.
What is the SMILES notation for CID 163370495?
The canonical SMILES for CID 163370495 is C#CCC1(C[CH2])CCCN(C(C)=O)C1.
What is the InChIKey of CID 163370495?
The InChIKey is DWLZZNBLZLDXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO/c1-4-7-12(5-2)8-6-9-13(10-12)11(3)14/h1H,2,5-10H2,3H3.
What are the key properties of CID 163370495?
CID 163370495 has a molecular weight of 192.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163370495 is sourced from PubChem (CID 163370495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).