N-[(E)-hept-2-enyl]formamide

C8H15NO — CID 87925184

IUPACN-[(E)-hept-2-enyl]formamide
SMILESCCCC/C=C/CNC=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h5-6,8H,2-4,7H2,1H3,(H,9,10)/b6-5+
InChIKeyJDLRAYTWPOXOPR-AATRIKPKSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds6

About N-[(E)-hept-2-enyl]formamide

N-[(E)-hept-2-enyl]formamide (PubChem CID 87925184) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E)-hept-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-hept-2-enyl]formamide
PubChem CID87925184
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E)-hept-2-enyl]formamide
SMILESCCCC/C=C/CNC=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h5-6,8H,2-4,7H2,1H3,(H,9,10)/b6-5+
InChIKeyJDLRAYTWPOXOPR-AATRIKPKSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-hex-2-enylformamide
CID 54372150
N-[(2E,4E)-pentadeca-2,4-dienyl]formamide
CID 121306695
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
(E)-octadec-13-enal
CID 5367670
tetradeca-4,9-dienal
CID 73196319
hexadeca-7,11-dienal
CID 543335
dec-5-ene;trihydrobromide
CID 175802238
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-2-enyl]formamide?
The IUPAC name of N-[(E)-hept-2-enyl]formamide (CID 87925184) is N-[(E)-hept-2-enyl]formamide.
What is the SMILES notation for N-[(E)-hept-2-enyl]formamide?
The canonical SMILES for N-[(E)-hept-2-enyl]formamide is CCCC/C=C/CNC=O.
What is the InChIKey of N-[(E)-hept-2-enyl]formamide?
The InChIKey is JDLRAYTWPOXOPR-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h5-6,8H,2-4,7H2,1H3,(H,9,10)/b6-5+.
What are the key properties of N-[(E)-hept-2-enyl]formamide?
N-[(E)-hept-2-enyl]formamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-2-enyl]formamide is sourced from PubChem (CID 87925184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).