(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide

C9H13NO2 — CID 170032063

IUPAC(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NOC
InChIInChI=1S/C9H13NO2/c1-4-5-6-7-8(2)9(11)10-12-3/h4-7H,2H2,1,3H3,(H,10,11)/b5-4-,7-6-
InChIKeyOGCUNVXUYZNONI-RZSVFLSASA-N
MW167.21 g/mol
LogP1.35
Rot. Bonds4

About (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide

(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide (PubChem CID 170032063) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide
PubChem CID170032063
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NOC
InChIInChI=1S/C9H13NO2/c1-4-5-6-7-8(2)9(11)10-12-3/h4-7H,2H2,1,3H3,(H,10,11)/b5-4-,7-6-
InChIKeyOGCUNVXUYZNONI-RZSVFLSASA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methoxy-2-methylidenepent-3-enamide
CID 167258609
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
CID 177053569
ethane;(2R)-2-(methylamino)-3-[[(3Z,5E)-2-methylidenehepta-3,5-dienoyl]amino]propanoic acid
CID 145216550
2-methylprop-2-enoyl (2E,4E)-hexa-2,4-dieneperoxoate
CID 141038339
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
N-methyl-2-methylidenepent-3-enamide
CID 123693857
(3Z,5Z)-N'-methyl-2-methylidenehepta-3,5-dienimidamide
CID 145063877
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide (CID 170032063) is (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C=C/C)C(=O)NOC.
What is the InChIKey of (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide?
The InChIKey is OGCUNVXUYZNONI-RZSVFLSASA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-5-6-7-8(2)9(11)10-12-3/h4-7H,2H2,1,3H3,(H,10,11)/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide?
(3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide has a molecular weight of 167.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methoxy-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 170032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).