3-iminopentanamide

C5H10N2O — CID 54560683

IUPAC3-iminopentanamide
SMILES[H]/N=C(\CC)CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-4(6)3-5(7)8/h6H,2-3H2,1H3,(H2,7,8)/b6-4+
InChIKeyZQIBGUSEFDJBMB-GQCTYLIASA-N
MW114.15 g/mol
LogP0.29
Rot. Bonds3

About 3-iminopentanamide

3-iminopentanamide (PubChem CID 54560683) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-iminopentanamide.

Molecular Properties

Compound Name3-iminopentanamide
PubChem CID54560683
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-iminopentanamide
SMILES[H]/N=C(\CC)CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-4(6)3-5(7)8/h6H,2-3H2,1H3,(H2,7,8)/b6-4+
InChIKeyZQIBGUSEFDJBMB-GQCTYLIASA-N
XLogP0.29
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptane-3,5-diimine
CID 142023911
5-iminoheptanamide
CID 123928104
ethyl N-(2-iminobutyl)carbamate
CID 174657995
methyl 4-iminohexanoate
CID 23565330
guanidine;propanamide
CID 158320139
N-ethyl-N-(2-iminobutyl)acetamide
CID 155200421
hexan-3-imine
CID 44512023
methane;propanamide
CID 160666730
propanediamide
CID 7911
2-bromo-N-(3-iminopentyl)acetamide
CID 123196370
(9-imino-7-oxoundecyl) 2-methylprop-2-enoate
CID 163981172
propanamide;hydrate;hydrochloride
CID 19791604

Frequently Asked Questions

What is the IUPAC name of 3-iminopentanamide?
The IUPAC name of 3-iminopentanamide (CID 54560683) is 3-iminopentanamide.
What is the SMILES notation for 3-iminopentanamide?
The canonical SMILES for 3-iminopentanamide is [H]/N=C(\CC)CC(N)=O.
What is the InChIKey of 3-iminopentanamide?
The InChIKey is ZQIBGUSEFDJBMB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-4(6)3-5(7)8/h6H,2-3H2,1H3,(H2,7,8)/b6-4+.
What are the key properties of 3-iminopentanamide?
3-iminopentanamide has a molecular weight of 114.15 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopentanamide is sourced from PubChem (CID 54560683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).