CID 154690142

C3H7BN2 — CID 154690142

IUPAC—
SMILES[B]/C(=C/N)CN
InChIInChI=1S/C3H7BN2/c4-3(1-5)2-6/h1H,2,5-6H2/b3-1+
InChIKeyBPXJCIRDGYXRER-HNQUOIGGSA-N
MW81.91 g/mol
LogP-1.09
Rot. Bonds1

About CID 154690142

CID 154690142 (PubChem CID 154690142) has the molecular formula C3H7BN2 and a molecular weight of 81.91 g/mol.

Molecular Properties

Compound NameCID 154690142
PubChem CID154690142
Molecular FormulaC3H7BN2
Molecular Weight81.91 g/mol
Exact Mass82.07
IUPAC Name—
SMILES[B]/C(=C/N)CN
InChIInChI=1S/C3H7BN2/c4-3(1-5)2-6/h1H,2,5-6H2/b3-1+
InChIKeyBPXJCIRDGYXRER-HNQUOIGGSA-N
XLogP-1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.91
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(aminomethyl)prop-2-enenitrile
CID 140565404
(1E,3E)-penta-1,3-diene-1,2,3,4,5-pentamine
CID 163489204
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
aminomethanol;dihydrate
CID 173179339
CID 158271275
CID 158271275
4-amino-3-(aminomethyl)but-3-enoic acid
CID 173281825
(2Z,4E)-4-methoxypenta-2,4-diene-1,2,5-triamine
CID 164593356
CID 177319664
CID 177319664
2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
CID 163554564
CID 154668407
CID 154668407
aminomethanol;cyclobutane
CID 67877288
hydroxysilylmethanamine
CID 173186257

Frequently Asked Questions

What is the IUPAC name of CID 154690142?
The IUPAC name of CID 154690142 (CID 154690142) is not available.
What is the SMILES notation for CID 154690142?
The canonical SMILES for CID 154690142 is [B]/C(=C/N)CN.
What is the InChIKey of CID 154690142?
The InChIKey is BPXJCIRDGYXRER-HNQUOIGGSA-N. The full InChI is InChI=1S/C3H7BN2/c4-3(1-5)2-6/h1H,2,5-6H2/b3-1+.
What are the key properties of CID 154690142?
CID 154690142 has a molecular weight of 81.91 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154690142 is sourced from PubChem (CID 154690142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).