N-formylpent-4-enamide

C6H9NO2 — CID 138584202

IUPACN-formylpent-4-enamide
SMILESC=CCCC(=O)NC=O
InChIInChI=1S/C6H9NO2/c1-2-3-4-6(9)7-5-8/h2,5H,1,3-4H2,(H,7,8,9)
InChIKeyTZBHWVRZZOLPSB-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.23
Rot. Bonds4

About N-formylpent-4-enamide

N-formylpent-4-enamide (PubChem CID 138584202) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-formylpent-4-enamide.

Molecular Properties

Compound NameN-formylpent-4-enamide
PubChem CID138584202
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-formylpent-4-enamide
SMILESC=CCCC(=O)NC=O
InChIInChI=1S/C6H9NO2/c1-2-3-4-6(9)7-5-8/h2,5H,1,3-4H2,(H,7,8,9)
InChIKeyTZBHWVRZZOLPSB-UHFFFAOYSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoylpent-4-enamide
CID 152780678
2-methyl-2-(pent-4-enoylamino)propanoic acid
CID 62680056
N-(2-aminoethyl)pent-4-enamide
CID 62679699
N-formyloctadecanamide
CID 54418147
N-(1-methylcyclopropyl)pent-4-enamide
CID 131210257
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
N-but-3-ynylpent-4-enamide
CID 56765704
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
3-(pent-4-enoylamino)butanoic acid
CID 62683470

Frequently Asked Questions

What is the IUPAC name of N-formylpent-4-enamide?
The IUPAC name of N-formylpent-4-enamide (CID 138584202) is N-formylpent-4-enamide.
What is the SMILES notation for N-formylpent-4-enamide?
The canonical SMILES for N-formylpent-4-enamide is C=CCCC(=O)NC=O.
What is the InChIKey of N-formylpent-4-enamide?
The InChIKey is TZBHWVRZZOLPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-4-6(9)7-5-8/h2,5H,1,3-4H2,(H,7,8,9).
What are the key properties of N-formylpent-4-enamide?
N-formylpent-4-enamide has a molecular weight of 127.14 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylpent-4-enamide is sourced from PubChem (CID 138584202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).