CID 59112187

C10H19N2O — CID 59112187

IUPAC—
SMILESCN=C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C10H19N2O/c1-9(2)6-8(11-5)7-10(3,4)12(9)13/h6-7H2,1-5H3
InChIKeyYOHPSZNFDPFHRQ-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.06
Rot. Bonds

About CID 59112187

CID 59112187 (PubChem CID 59112187) has the molecular formula C10H19N2O and a molecular weight of 183.27 g/mol.

Molecular Properties

Compound NameCID 59112187
PubChem CID59112187
Molecular FormulaC10H19N2O
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Name—
SMILESCN=C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C10H19N2O/c1-9(2)6-8(11-5)7-10(3,4)12(9)13/h6-7H2,1-5H3
InChIKeyYOHPSZNFDPFHRQ-UHFFFAOYSA-N
XLogP2.06
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 59112187 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 CID 59112187?
The IUPAC name of CID 59112187 (CID 59112187) is not available.
What is the SMILES notation for CID 59112187?
The canonical SMILES for CID 59112187 is CN=C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 59112187?
The InChIKey is YOHPSZNFDPFHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O/c1-9(2)6-8(11-5)7-10(3,4)12(9)13/h6-7H2,1-5H3.
What are the key properties of CID 59112187?
CID 59112187 has a molecular weight of 183.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59112187 is sourced from PubChem (CID 59112187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).