N-(3-aminobut-3-enyl)propanamide

C7H14N2O — CID 137412908

IUPACN-(3-aminobut-3-enyl)propanamide
SMILESC=C(N)CCNC(=O)CC
InChIInChI=1S/C7H14N2O/c1-3-7(10)9-5-4-6(2)8/h2-5,8H2,1H3,(H,9,10)
InChIKeyJFUZFDVRXCBXCC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.38
Rot. Bonds4

About N-(3-aminobut-3-enyl)propanamide

N-(3-aminobut-3-enyl)propanamide (PubChem CID 137412908) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(3-aminobut-3-enyl)propanamide.

Molecular Properties

Compound NameN-(3-aminobut-3-enyl)propanamide
PubChem CID137412908
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(3-aminobut-3-enyl)propanamide
SMILESC=C(N)CCNC(=O)CC
InChIInChI=1S/C7H14N2O/c1-3-7(10)9-5-4-6(2)8/h2-5,8H2,1H3,(H,9,10)
InChIKeyJFUZFDVRXCBXCC-UHFFFAOYSA-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 N-(3-aminobut-3-enyl)propanamide?
The IUPAC name of N-(3-aminobut-3-enyl)propanamide (CID 137412908) is N-(3-aminobut-3-enyl)propanamide.
What is the SMILES notation for N-(3-aminobut-3-enyl)propanamide?
The canonical SMILES for N-(3-aminobut-3-enyl)propanamide is C=C(N)CCNC(=O)CC.
What is the InChIKey of N-(3-aminobut-3-enyl)propanamide?
The InChIKey is JFUZFDVRXCBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-7(10)9-5-4-6(2)8/h2-5,8H2,1H3,(H,9,10).
What are the key properties of N-(3-aminobut-3-enyl)propanamide?
N-(3-aminobut-3-enyl)propanamide 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 N-(3-aminobut-3-enyl)propanamide is sourced from PubChem (CID 137412908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).