2-formamido-2-methylpent-4-enamide

C7H12N2O2 — CID 86010782

IUPAC2-formamido-2-methylpent-4-enamide
SMILESC=CCC(C)(NC=O)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-4-7(2,6(8)11)9-5-10/h3,5H,1,4H2,2H3,(H2,8,11)(H,9,10)
InChIKeySGUYDPHTRNFYMQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds5

About 2-formamido-2-methylpent-4-enamide

2-formamido-2-methylpent-4-enamide (PubChem CID 86010782) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-formamido-2-methylpent-4-enamide.

Molecular Properties

Compound Name2-formamido-2-methylpent-4-enamide
PubChem CID86010782
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-formamido-2-methylpent-4-enamide
SMILESC=CCC(C)(NC=O)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-4-7(2,6(8)11)9-5-10/h3,5H,1,4H2,2H3,(H2,8,11)(H,9,10)
InChIKeySGUYDPHTRNFYMQ-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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

(2S)-2-formamido-N-methylpent-4-enamide
CID 89064140
(2S)-N-ethyl-2-formamidopent-4-enamide
CID 117810363
trans-(1R,2S)-2-ethenyl-1-formamidocyclopropane-1-carboxamide
CID 118457449
(2S)-2-methyl-2-(methylamino)pent-4-enamide
CID 156159026
2-Ethenyl-2-formamidopent-4-enamide
CID 173137605
3-Methyl-2-(methylamino)pent-4-enamide
CID 177759482
2-(Methylamino)-2-prop-2-enylpropanediamide
CID 62705595
(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide
CID 142895068
2-Formamidopent-4-enamide
CID 143403862

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-methylpent-4-enamide?
The IUPAC name of 2-formamido-2-methylpent-4-enamide (CID 86010782) is 2-formamido-2-methylpent-4-enamide.
What is the SMILES notation for 2-formamido-2-methylpent-4-enamide?
The canonical SMILES for 2-formamido-2-methylpent-4-enamide is C=CCC(C)(NC=O)C(N)=O.
What is the InChIKey of 2-formamido-2-methylpent-4-enamide?
The InChIKey is SGUYDPHTRNFYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-7(2,6(8)11)9-5-10/h3,5H,1,4H2,2H3,(H2,8,11)(H,9,10).
What are the key properties of 2-formamido-2-methylpent-4-enamide?
2-formamido-2-methylpent-4-enamide has a molecular weight of 156.19 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-methylpent-4-enamide is sourced from PubChem (CID 86010782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).