N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide

C11H19NO2 — CID 143269538

IUPACN-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide
SMILESCC/C=C(NC=O)\C(=C/COC)CC
InChIInChI=1S/C11H19NO2/c1-4-6-11(12-9-13)10(5-2)7-8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,12,13)/b10-7-,11-6+
InChIKeyWRHPQWNZOSURBZ-IKVLVDHLSA-N
MW197.28 g/mol
LogP2.01
Rot. Bonds7

About N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide

N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide (PubChem CID 143269538) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide
PubChem CID143269538
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide
SMILESCC/C=C(NC=O)\C(=C/COC)CC
InChIInChI=1S/C11H19NO2/c1-4-6-11(12-9-13)10(5-2)7-8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,12,13)/b10-7-,11-6+
InChIKeyWRHPQWNZOSURBZ-IKVLVDHLSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.01
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-[(5Z,7E)-6-[(Z)-but-2-en-2-yl]-3,8,9-trimethyl-4-methylidene-3,9-dihydro-2H-oxonin-7-yl]formamide
CID 154968487
(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine
CID 155644440
N-[(3E,5Z)-6-ethyl-7-methoxyocta-1,3,5-trien-4-yl]formamide
CID 156467687
N-[(3E)-2-(methoxymethyl)hexa-1,3,5-trien-3-yl]formamide
CID 166713700
N-[(3Z,5E)-5-(propan-2-yloxymethyl)hepta-1,3,5-trien-2-yl]formamide
CID 170274732
N-[(Z,2E)-2-(2-methoxyethylidene)hex-3-enyl]formamide
CID 143087945
N-[(2E,4Z,5E,7E)-4-(2-bromoethylidene)-1-methoxydodeca-2,5,7,11-tetraen-3-yl]formamide
CID 144126293
CID 178671816
CID 178671816

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide?
The IUPAC name of N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide (CID 143269538) is N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide.
What is the SMILES notation for N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide?
The canonical SMILES for N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide is CC/C=C(NC=O)\C(=C/COC)CC.
What is the InChIKey of N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide?
The InChIKey is WRHPQWNZOSURBZ-IKVLVDHLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-11(12-9-13)10(5-2)7-8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,12,13)/b10-7-,11-6+.
What are the key properties of N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide?
N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide has a molecular weight of 197.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-3-ethyl-1-methoxyhepta-2,4-dien-4-yl]formamide is sourced from PubChem (CID 143269538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).