N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide

C10H17NO2 — CID 143087945

IUPACN-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide
SMILESCC/C=C\C(=C/COC)CNC=O
InChIInChI=1S/C10H17NO2/c1-3-4-5-10(6-7-13-2)8-11-9-12/h4-6,9H,3,7-8H2,1-2H3,(H,11,12)/b5-4-,10-6+
InChIKeyJWWGDSZFRPKCGU-VWJYOPCBSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds7

About N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide

N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide (PubChem CID 143087945) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide
PubChem CID143087945
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide
SMILESCC/C=C\C(=C/COC)CNC=O
InChIInChI=1S/C10H17NO2/c1-3-4-5-10(6-7-13-2)8-11-9-12/h4-6,9H,3,7-8H2,1-2H3,(H,11,12)/b5-4-,10-6+
InChIKeyJWWGDSZFRPKCGU-VWJYOPCBSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide
CID 142837212
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
(E,E)-4-ethyl-2,4-hexadien-1-yl ethylcarbamate
CID 86749293
(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
N-(2-propylidenehex-3-enyl)formamide
CID 91044055
N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide
CID 126583265
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103604
N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide
CID 143901803
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen
CID 145369874
ethane;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-butylcarbamate
CID 167457881

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide?
The IUPAC name of N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide (CID 143087945) is N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide.
What is the SMILES notation for N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide?
The canonical SMILES for N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide is CC/C=C\C(=C/COC)CNC=O.
What is the InChIKey of N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide?
The InChIKey is JWWGDSZFRPKCGU-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-10(6-7-13-2)8-11-9-12/h4-6,9H,3,7-8H2,1-2H3,(H,11,12)/b5-4-,10-6+.
What are the key properties of N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide?
N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide is sourced from PubChem (CID 143087945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).