N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide

C9H13NO — CID 91296364

IUPACN-(2-cyclohexa-1,5-dien-1-ylethyl)formamide
SMILESO=CNCCC1=CCCC=C1
InChIInChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,10,11)
InChIKeyZWCGLZGDEGIUBC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds4

About N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide

N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide (PubChem CID 91296364) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-ylethyl)formamide
PubChem CID91296364
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(2-cyclohexa-1,5-dien-1-ylethyl)formamide
SMILESO=CNCCC1=CCCC=C1
InChIInChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,10,11)
InChIKeyZWCGLZGDEGIUBC-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 156168339
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 143389094
N-[2-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]formamide
CID 143501668
N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442016
N-[2-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]ethyl]formamide
CID 144442031
N-[(3Z)-3-[(E)-2-fluoroethenyl]hexa-3,5-dienyl]formamide
CID 144442150

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide (CID 91296364) is N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide is O=CNCCC1=CCCC=C1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide?
The InChIKey is ZWCGLZGDEGIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,10,11).
What are the key properties of N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide?
N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide has a molecular weight of 151.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide is sourced from PubChem (CID 91296364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).