(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide

C10H16N2O — CID 144506280

IUPAC(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CC(N)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-6-8(5-2)7-9(11)10(13)12-3/h4-6,9H,1-2,7,11H2,3H3,(H,12,13)/b8-6+
InChIKeySZNHGPYXSKKJET-SOFGYWHQSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds5

About (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide

(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide (PubChem CID 144506280) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
PubChem CID144506280
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CC(N)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-6-8(5-2)7-9(11)10(13)12-3/h4-6,9H,1-2,7,11H2,3H3,(H,12,13)/b8-6+
InChIKeySZNHGPYXSKKJET-SOFGYWHQSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide
CID 142900367
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
(2S)-2-amino-4-chloro-N-methylpent-4-enamide
CID 45101850
(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
CID 153342117
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
(2R)-2-amino-N-methylbutanamide
CID 14888796
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
CID 142133162
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
(4Z)-4-ethenyl-2-[(2-hydroxyacetyl)-methylamino]hepta-4,6-dienoic acid
CID 176961772

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide?
The IUPAC name of (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide (CID 144506280) is (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide?
The canonical SMILES for (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide is C=C/C=C(\C=C)CC(N)C(=O)NC.
What is the InChIKey of (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide?
The InChIKey is SZNHGPYXSKKJET-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-8(5-2)7-9(11)10(13)12-3/h4-6,9H,1-2,7,11H2,3H3,(H,12,13)/b8-6+.
What are the key properties of (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide?
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide has a molecular weight of 180.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide is sourced from PubChem (CID 144506280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).