N-[(E)-oct-1-enyl]formamide

C9H17NO — CID 87382221

IUPACN-[(E)-oct-1-enyl]formamide
SMILESCCCCCC/C=C/NC=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h7-9H,2-6H2,1H3,(H,10,11)/b8-7+
InChIKeySVOJPRPWHGVJKE-BQYQJAHWSA-N
MW155.24 g/mol
LogP2.22
Rot. Bonds7

About N-[(E)-oct-1-enyl]formamide

N-[(E)-oct-1-enyl]formamide (PubChem CID 87382221) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-oct-1-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-oct-1-enyl]formamide
PubChem CID87382221
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-oct-1-enyl]formamide
SMILESCCCCCC/C=C/NC=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h7-9H,2-6H2,1H3,(H,10,11)/b8-7+
InChIKeySVOJPRPWHGVJKE-BQYQJAHWSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.22
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-[(2E,4E)-pentadeca-2,4-dienyl]formamide
CID 121306695
(22E)-heptatetraconta-22,24-diene
CID 56629131
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of N-[(E)-oct-1-enyl]formamide?
The IUPAC name of N-[(E)-oct-1-enyl]formamide (CID 87382221) is N-[(E)-oct-1-enyl]formamide.
What is the SMILES notation for N-[(E)-oct-1-enyl]formamide?
The canonical SMILES for N-[(E)-oct-1-enyl]formamide is CCCCCC/C=C/NC=O.
What is the InChIKey of N-[(E)-oct-1-enyl]formamide?
The InChIKey is SVOJPRPWHGVJKE-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h7-9H,2-6H2,1H3,(H,10,11)/b8-7+.
What are the key properties of N-[(E)-oct-1-enyl]formamide?
N-[(E)-oct-1-enyl]formamide has a molecular weight of 155.24 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-oct-1-enyl]formamide is sourced from PubChem (CID 87382221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).