2-amino-N-propylbut-3-enamide

C7H14N2O — CID 123617152

IUPAC2-amino-N-propylbut-3-enamide
SMILESC=CC(N)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4,6H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyJTOACHLAAKXGTQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds4

About 2-amino-N-propylbut-3-enamide

2-amino-N-propylbut-3-enamide (PubChem CID 123617152) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-amino-N-propylbut-3-enamide.

Molecular Properties

Compound Name2-amino-N-propylbut-3-enamide
PubChem CID123617152
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-amino-N-propylbut-3-enamide
SMILESC=CC(N)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4,6H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyJTOACHLAAKXGTQ-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-allyl-3-butenamide
CID 11182609
N-isopropyl-3-butenamide
CID 59532974
2-Amino-N-(but-3en-1-yl)-N-methylacetamide
CID 76458167
3-Amino-1,3,4,7-tetrahydro-2h-azepin-2-one
CID 129860028
N-methyl-2-piperazin-1-ylbut-3-enamide
CID 176431723
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
N-prop-2-enyl-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226818
2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide
CID 115406814
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571380
N-but-3-en-2-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115692181

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propylbut-3-enamide?
The IUPAC name of 2-amino-N-propylbut-3-enamide (CID 123617152) is 2-amino-N-propylbut-3-enamide.
What is the SMILES notation for 2-amino-N-propylbut-3-enamide?
The canonical SMILES for 2-amino-N-propylbut-3-enamide is C=CC(N)C(=O)NCCC.
What is the InChIKey of 2-amino-N-propylbut-3-enamide?
The InChIKey is JTOACHLAAKXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-9-7(10)6(8)4-2/h4,6H,2-3,5,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-N-propylbut-3-enamide?
2-amino-N-propylbut-3-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propylbut-3-enamide is sourced from PubChem (CID 123617152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).