CID 139242695

C7H11N — CID 139242695

IUPAC—
SMILESCN1[C]C(C)(C)C=C1
InChIInChI=1S/C7H11N/c1-7(2)4-5-8(3)6-7/h4-5H,1-3H3
InChIKeyGZLIWSGBNKWYBF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.51
Rot. Bonds

About CID 139242695

CID 139242695 (PubChem CID 139242695) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol.

Molecular Properties

Compound NameCID 139242695
PubChem CID139242695
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name—
SMILESCN1[C]C(C)(C)C=C1
InChIInChI=1S/C7H11N/c1-7(2)4-5-8(3)6-7/h4-5H,1-3H3
InChIKeyGZLIWSGBNKWYBF-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 139242695 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 139242695?
The IUPAC name of CID 139242695 (CID 139242695) is not available.
What is the SMILES notation for CID 139242695?
The canonical SMILES for CID 139242695 is CN1[C]C(C)(C)C=C1.
What is the InChIKey of CID 139242695?
The InChIKey is GZLIWSGBNKWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)4-5-8(3)6-7/h4-5H,1-3H3.
What are the key properties of CID 139242695?
CID 139242695 has a molecular weight of 109.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242695 is sourced from PubChem (CID 139242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).