(2S)-2-formamido-N-methylpent-4-enamide

C7H12N2O2 — CID 89064140

IUPAC(2S)-2-formamido-N-methylpent-4-enamide
SMILESC=CC[C@H](NC=O)C(=O)NC
InChIInChI=1S/C7H12N2O2/c1-3-4-6(9-5-10)7(11)8-2/h3,5-6H,1,4H2,2H3,(H,8,11)(H,9,10)/t6-/m0/s1
InChIKeyOALRCUOKIGCTMS-LURJTMIESA-N
MW156.18 g/mol
LogP-0.58
Rot. Bonds5

About (2S)-2-formamido-N-methylpent-4-enamide

(2S)-2-formamido-N-methylpent-4-enamide (PubChem CID 89064140) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-2-formamido-N-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-formamido-N-methylpent-4-enamide
PubChem CID89064140
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(2S)-2-formamido-N-methylpent-4-enamide
SMILESC=CC[C@H](NC=O)C(=O)NC
InChIInChI=1S/C7H12N2O2/c1-3-4-6(9-5-10)7(11)8-2/h3,5-6H,1,4H2,2H3,(H,8,11)(H,9,10)/t6-/m0/s1
InChIKeyOALRCUOKIGCTMS-LURJTMIESA-N
XLogP-0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.58
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-N-methylpent-4-enamide?
The IUPAC name of (2S)-2-formamido-N-methylpent-4-enamide (CID 89064140) is (2S)-2-formamido-N-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-formamido-N-methylpent-4-enamide?
The canonical SMILES for (2S)-2-formamido-N-methylpent-4-enamide is C=CC[C@H](NC=O)C(=O)NC.
What is the InChIKey of (2S)-2-formamido-N-methylpent-4-enamide?
The InChIKey is OALRCUOKIGCTMS-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-6(9-5-10)7(11)8-2/h3,5-6H,1,4H2,2H3,(H,8,11)(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-formamido-N-methylpent-4-enamide?
(2S)-2-formamido-N-methylpent-4-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-N-methylpent-4-enamide is sourced from PubChem (CID 89064140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).