CID 18724132

C5H10BN — CID 18724132

IUPAC—
SMILES[B]CC1CCCN1
InChIInChI=1S/C5H10BN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2
InChIKeyXRSDAQLROAZPIO-UHFFFAOYSA-N
MW94.95 g/mol
LogP0.33
Rot. Bonds1

About CID 18724132

CID 18724132 (PubChem CID 18724132) has the molecular formula C5H10BN and a molecular weight of 94.95 g/mol.

Molecular Properties

Compound NameCID 18724132
PubChem CID18724132
Molecular FormulaC5H10BN
Molecular Weight94.95 g/mol
Exact Mass95.09
IUPAC Name—
SMILES[B]CC1CCCN1
InChIInChI=1S/C5H10BN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2
InChIKeyXRSDAQLROAZPIO-UHFFFAOYSA-N
XLogP0.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.95
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 18724132 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

CID 176937281
CID 176937281
pyrrolidin-2-ylmethanethiol
CID 15793333
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-pyrrolidin-2-ylethanamine
CID 14030009
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868
2-pyrrolidin-2-ylacetonitrile
CID 12896132
2-prop-2-enyl(213C)azolidine
CID 173137372

Frequently Asked Questions

What is the IUPAC name of CID 18724132?
The IUPAC name of CID 18724132 (CID 18724132) is not available.
What is the SMILES notation for CID 18724132?
The canonical SMILES for CID 18724132 is [B]CC1CCCN1.
What is the InChIKey of CID 18724132?
The InChIKey is XRSDAQLROAZPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2.
What are the key properties of CID 18724132?
CID 18724132 has a molecular weight of 94.95 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18724132 is sourced from PubChem (CID 18724132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).