(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide

C9H14N2O2 — CID 142895068

IUPAC(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide
SMILESC=C=C[C@H](C)C(NC=O)C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-4-5-7(2)8(11-6-12)9(13)10-3/h5-8H,1H2,2-3H3,(H,10,13)(H,11,12)/t7-,8?/m0/s1
InChIKeyVRZYGDRNSVQDMM-JAMMHHFISA-N
MW182.22 g/mol
LogP-0.18
Rot. Bonds5

About (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide

(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide (PubChem CID 142895068) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide.

Molecular Properties

Compound Name(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide
PubChem CID142895068
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide
SMILESC=C=C[C@H](C)C(NC=O)C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-4-5-7(2)8(11-6-12)9(13)10-3/h5-8H,1H2,2-3H3,(H,10,13)(H,11,12)/t7-,8?/m0/s1
InChIKeyVRZYGDRNSVQDMM-JAMMHHFISA-N
XLogP-0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide?
The IUPAC name of (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide (CID 142895068) is (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide.
What is the SMILES notation for (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide?
The canonical SMILES for (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide is C=C=C[C@H](C)C(NC=O)C(=O)NC.
What is the InChIKey of (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide?
The InChIKey is VRZYGDRNSVQDMM-JAMMHHFISA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7(2)8(11-6-12)9(13)10-3/h5-8H,1H2,2-3H3,(H,10,13)(H,11,12)/t7-,8?/m0/s1.
What are the key properties of (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide?
(3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide has a molecular weight of 182.22 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-formamido-N,3-dimethylhexa-4,5-dienamide is sourced from PubChem (CID 142895068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).