N-(4-aminobut-3-enyl)prop-2-enamide

C7H12N2O — CID 174483011

IUPACN-(4-aminobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)NCCC=CN
InChIInChI=1S/C7H12N2O/c1-2-7(10)9-6-4-3-5-8/h2-3,5H,1,4,6,8H2,(H,9,10)
InChIKeyQSPNAVOSQIYCJD-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.15
Rot. Bonds4

About N-(4-aminobut-3-enyl)prop-2-enamide

N-(4-aminobut-3-enyl)prop-2-enamide (PubChem CID 174483011) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(4-aminobut-3-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-aminobut-3-enyl)prop-2-enamide
PubChem CID174483011
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(4-aminobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)NCCC=CN
InChIInChI=1S/C7H12N2O/c1-2-7(10)9-6-4-3-5-8/h2-3,5H,1,4,6,8H2,(H,9,10)
InChIKeyQSPNAVOSQIYCJD-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[(E)-8-iodooct-4-enyl]prop-2-enamide
CID 10990443
methyl-[2-(prop-2-enoylamino)ethyl]phosphinic acid
CID 167585603
2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 139534058
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
molecular hydrogen;N-propylprop-2-enamide
CID 153372503

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobut-3-enyl)prop-2-enamide?
The IUPAC name of N-(4-aminobut-3-enyl)prop-2-enamide (CID 174483011) is N-(4-aminobut-3-enyl)prop-2-enamide.
What is the SMILES notation for N-(4-aminobut-3-enyl)prop-2-enamide?
The canonical SMILES for N-(4-aminobut-3-enyl)prop-2-enamide is C=CC(=O)NCCC=CN.
What is the InChIKey of N-(4-aminobut-3-enyl)prop-2-enamide?
The InChIKey is QSPNAVOSQIYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-7(10)9-6-4-3-5-8/h2-3,5H,1,4,6,8H2,(H,9,10).
What are the key properties of N-(4-aminobut-3-enyl)prop-2-enamide?
N-(4-aminobut-3-enyl)prop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobut-3-enyl)prop-2-enamide is sourced from PubChem (CID 174483011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).