CID 148528659

C5H10BN2 — CID 148528659

IUPAC—
SMILESC[B]C(=CN)/C=N/C
InChIInChI=1S/C5H10BN2/c1-6-5(3-7)4-8-2/h3-4H,7H2,1-2H3/b5-3?,8-4+
InChIKeyPKLBJIDCXFKGDH-ZDUSDAAASA-N
MW108.96 g/mol
LogP0.24
Rot. Bonds2

About CID 148528659

CID 148528659 (PubChem CID 148528659) has the molecular formula C5H10BN2 and a molecular weight of 108.96 g/mol.

Molecular Properties

Compound NameCID 148528659
PubChem CID148528659
Molecular FormulaC5H10BN2
Molecular Weight108.96 g/mol
Exact Mass109.09
IUPAC Name—
SMILESC[B]C(=CN)/C=N/C
InChIInChI=1S/C5H10BN2/c1-6-5(3-7)4-8-2/h3-4H,7H2,1-2H3/b5-3?,8-4+
InChIKeyPKLBJIDCXFKGDH-ZDUSDAAASA-N
XLogP0.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.96
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-methyliminoprop-1-en-1-amine
CID 87688897
2-Fluoro-3-methyliminoprop-1-en-1-amine
CID 147359228
[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]boronic acid
CID 88939480
(Z)-3-ethylimino-2-methylprop-1-en-1-amine
CID 89642552
(Z)-2-methyl-3-propyliminoprop-1-en-1-amine
CID 139420929
(Z)-2-methyl-3-methyliminoprop-1-en-1-amine
CID 140669214
2-Methyl-3-methyliminoprop-1-en-1-amine
CID 141861817
(1-Amino-3-methyliminoprop-1-en-2-yl)boronic acid
CID 149128862
2-Methyl-3-propyliminoprop-1-en-1-amine
CID 149138991
3-Ethylimino-2-methylprop-1-en-1-amine
CID 153644695
CID 154516807
CID 154516807
CID 158271275
CID 158271275

Frequently Asked Questions

What is the IUPAC name of CID 148528659?
The IUPAC name of CID 148528659 (CID 148528659) is not available.
What is the SMILES notation for CID 148528659?
The canonical SMILES for CID 148528659 is C[B]C(=CN)/C=N/C.
What is the InChIKey of CID 148528659?
The InChIKey is PKLBJIDCXFKGDH-ZDUSDAAASA-N. The full InChI is InChI=1S/C5H10BN2/c1-6-5(3-7)4-8-2/h3-4H,7H2,1-2H3/b5-3?,8-4+.
What are the key properties of CID 148528659?
CID 148528659 has a molecular weight of 108.96 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148528659 is sourced from PubChem (CID 148528659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).