(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide

C12H19NO — CID 170070628

IUPAC(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide
SMILESC=C/C=C(\C=C/CC)C(C)C(=O)NC
InChIInChI=1S/C12H19NO/c1-5-7-9-11(8-6-2)10(3)12(14)13-4/h6-10H,2,5H2,1,3-4H3,(H,13,14)/b9-7-,11-8+
InChIKeyGJPLTXHGIDDUCY-BYSFRFKNSA-N
MW193.29 g/mol
LogP2.45
Rot. Bonds5

About (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide

(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide (PubChem CID 170070628) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide.

Molecular Properties

Compound Name(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide
PubChem CID170070628
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide
SMILESC=C/C=C(\C=C/CC)C(C)C(=O)NC
InChIInChI=1S/C12H19NO/c1-5-7-9-11(8-6-2)10(3)12(14)13-4/h6-10H,2,5H2,1,3-4H3,(H,13,14)/b9-7-,11-8+
InChIKeyGJPLTXHGIDDUCY-BYSFRFKNSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
(Z,5Z)-6-methyl-5-prop-2-enylidenedec-3-ene
CID 144893155
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
N,2-dimethyl-3-oxopentanamide
CID 55299421
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
3-[[[(3E)-hexa-3,5-dien-3-yl]amino]methylideneamino]-N,2-dimethylpropanamide
CID 155129800
(3E,5Z)-octa-1,3,5-triene-4-sulfonic acid
CID 89312576
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
N',2-dimethylpropanediamide
CID 19785845
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide?
The IUPAC name of (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide (CID 170070628) is (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide.
What is the SMILES notation for (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide?
The canonical SMILES for (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide is C=C/C=C(\C=C/CC)C(C)C(=O)NC.
What is the InChIKey of (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide?
The InChIKey is GJPLTXHGIDDUCY-BYSFRFKNSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-9-11(8-6-2)10(3)12(14)13-4/h6-10H,2,5H2,1,3-4H3,(H,13,14)/b9-7-,11-8+.
What are the key properties of (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide?
(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide is sourced from PubChem (CID 170070628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).