CID 58318985

C5H7N — CID 58318985

IUPAC—
SMILES[H]/N=C(\[CH])C(=C)C
InChIInChI=1S/C5H7N/c1-4(2)5(3)6/h3,6H,1H2,2H3/b6-5+
InChIKeyRZSZQLZVZPKOHB-AATRIKPKSA-N
MW81.12 g/mol
LogP1.29
Rot. Bonds1

About CID 58318985

CID 58318985 (PubChem CID 58318985) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol.

Molecular Properties

Compound NameCID 58318985
PubChem CID58318985
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name—
SMILES[H]/N=C(\[CH])C(=C)C
InChIInChI=1S/C5H7N/c1-4(2)5(3)6/h3,6H,1H2,2H3/b6-5+
InChIKeyRZSZQLZVZPKOHB-AATRIKPKSA-N
XLogP1.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpent-1-en-3-imine
CID 91148130
2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 145093627
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
ethanimine;2-methylprop-2-enoic acid
CID 175333202
5-methylhexa-1,4-dien-3-imine
CID 130197601
[carbamimidoyl(2-methylprop-2-enoyl)amino] 2-methylprop-2-enoate
CID 142771610
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
copper ethanimidate
CID 159106233

Frequently Asked Questions

What is the IUPAC name of CID 58318985?
The IUPAC name of CID 58318985 (CID 58318985) is not available.
What is the SMILES notation for CID 58318985?
The canonical SMILES for CID 58318985 is [H]/N=C(\[CH])C(=C)C.
What is the InChIKey of CID 58318985?
The InChIKey is RZSZQLZVZPKOHB-AATRIKPKSA-N. The full InChI is InChI=1S/C5H7N/c1-4(2)5(3)6/h3,6H,1H2,2H3/b6-5+.
What are the key properties of CID 58318985?
CID 58318985 has a molecular weight of 81.12 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58318985 is sourced from PubChem (CID 58318985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).