4-amino-N-[(E)-prop-1-enyl]butanamide

C7H14N2O — CID 131247646

IUPAC4-amino-N-[(E)-prop-1-enyl]butanamide
SMILESC/C=C/NC(=O)CCCN
InChIInChI=1S/C7H14N2O/c1-2-6-9-7(10)4-3-5-8/h2,6H,3-5,8H2,1H3,(H,9,10)/b6-2+
InChIKeyHFUJFJXALIIRNG-QHHAFSJGSA-N
MW142.20 g/mol
LogP0.38
Rot. Bonds4

About 4-amino-N-[(E)-prop-1-enyl]butanamide

4-amino-N-[(E)-prop-1-enyl]butanamide (PubChem CID 131247646) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-amino-N-[(E)-prop-1-enyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(E)-prop-1-enyl]butanamide
PubChem CID131247646
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-amino-N-[(E)-prop-1-enyl]butanamide
SMILESC/C=C/NC(=O)CCCN
InChIInChI=1S/C7H14N2O/c1-2-6-9-7(10)4-3-5-8/h2,6H,3-5,8H2,1H3,(H,9,10)/b6-2+
InChIKeyHFUJFJXALIIRNG-QHHAFSJGSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-prop-1-enyl]butanamide?
The IUPAC name of 4-amino-N-[(E)-prop-1-enyl]butanamide (CID 131247646) is 4-amino-N-[(E)-prop-1-enyl]butanamide.
What is the SMILES notation for 4-amino-N-[(E)-prop-1-enyl]butanamide?
The canonical SMILES for 4-amino-N-[(E)-prop-1-enyl]butanamide is C/C=C/NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(E)-prop-1-enyl]butanamide?
The InChIKey is HFUJFJXALIIRNG-QHHAFSJGSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-6-9-7(10)4-3-5-8/h2,6H,3-5,8H2,1H3,(H,9,10)/b6-2+.
What are the key properties of 4-amino-N-[(E)-prop-1-enyl]butanamide?
4-amino-N-[(E)-prop-1-enyl]butanamide has a molecular weight of 142.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-prop-1-enyl]butanamide is sourced from PubChem (CID 131247646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).