(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide

C11H16ClNO — CID 162732303

IUPAC(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide
SMILESC/C=C(Cl)\C=C/C(=C/CC)C(=O)NC
InChIInChI=1S/C11H16ClNO/c1-4-6-9(11(14)13-3)7-8-10(12)5-2/h5-8H,4H2,1-3H3,(H,13,14)/b8-7-,9-6-,10-5+
InChIKeyVLKHHLQYERPDQO-CEWXQRBCSA-N
MW213.71 g/mol
LogP2.77
Rot. Bonds4

About (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide

(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide (PubChem CID 162732303) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide
PubChem CID162732303
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide
SMILESC/C=C(Cl)\C=C/C(=C/CC)C(=O)NC
InChIInChI=1S/C11H16ClNO/c1-4-6-9(11(14)13-3)7-8-10(12)5-2/h5-8H,4H2,1-3H3,(H,13,14)/b8-7-,9-6-,10-5+
InChIKeyVLKHHLQYERPDQO-CEWXQRBCSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea
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CID 155586145
(E)-2-amino-N-methylpent-2-enamide
CID 166472406
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
4-chlorohexa-2,4-dienoic acid
CID 3024913
methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
CID 163442754
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
CID 162732262
2-fluoro-N-methylbut-2-enamide
CID 76578732
(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
N,N'-di((113C)methyl)oxamide
CID 169438737
(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene
CID 142010123

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide?
The IUPAC name of (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide (CID 162732303) is (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide.
What is the SMILES notation for (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide?
The canonical SMILES for (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide is C/C=C(Cl)\C=C/C(=C/CC)C(=O)NC.
What is the InChIKey of (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide?
The InChIKey is VLKHHLQYERPDQO-CEWXQRBCSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-4-6-9(11(14)13-3)7-8-10(12)5-2/h5-8H,4H2,1-3H3,(H,13,14)/b8-7-,9-6-,10-5+.
What are the key properties of (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide?
(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide has a molecular weight of 213.71 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide is sourced from PubChem (CID 162732303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).