(E)-hex-3-enediamide

C6H10N2O2 — CID 5458982

IUPAC(E)-hex-3-enediamide
SMILESNC(=O)C/C=C/CC(N)=O
InChIInChI=1S/C6H10N2O2/c7-5(9)3-1-2-4-6(8)10/h1-2H,3-4H2,(H2,7,9)(H2,8,10)/b2-1+
InChIKeyMQNQJAWLPVZCKN-OWOJBTEDSA-N
MW142.16 g/mol
LogP-0.71
Rot. Bonds4

About (E)-hex-3-enediamide

(E)-hex-3-enediamide (PubChem CID 5458982) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (E)-hex-3-enediamide.

Molecular Properties

Compound Name(E)-hex-3-enediamide
PubChem CID5458982
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(E)-hex-3-enediamide
SMILESNC(=O)C/C=C/CC(N)=O
InChIInChI=1S/C6H10N2O2/c7-5(9)3-1-2-4-6(8)10/h1-2H,3-4H2,(H2,7,9)(H2,8,10)/b2-1+
InChIKeyMQNQJAWLPVZCKN-OWOJBTEDSA-N
XLogP-0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-hex-3-enediamide
CID 5771693
(E)-hex-3-enamide
CID 15937545
2,5-Cyclohexadiene-1-carboxamide
CID 24977690
Methylene-bisacrylamide
CID 53800990
3-Pentenamide, (E)-
CID 53856717
5-Fluoropent-3-enamide
CID 173314135
3-Hexenediamide
CID 311873
(3E)-Pent-3-enamide
CID 9812758
(Z)-pent-2-enediamide
CID 137322703
(Z)-oct-4-enediamide
CID 12458471
(E)-N-methoxypent-3-enamide
CID 135086142
(Z)-hex-3-enamide
CID 10057469

Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-enediamide?
The IUPAC name of (E)-hex-3-enediamide (CID 5458982) is (E)-hex-3-enediamide.
What is the SMILES notation for (E)-hex-3-enediamide?
The canonical SMILES for (E)-hex-3-enediamide is NC(=O)C/C=C/CC(N)=O.
What is the InChIKey of (E)-hex-3-enediamide?
The InChIKey is MQNQJAWLPVZCKN-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-5(9)3-1-2-4-6(8)10/h1-2H,3-4H2,(H2,7,9)(H2,8,10)/b2-1+.
What are the key properties of (E)-hex-3-enediamide?
(E)-hex-3-enediamide has a molecular weight of 142.16 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-enediamide is sourced from PubChem (CID 5458982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).