N-hexyl-N-[(E)-pent-2-en-2-yl]formamide

C12H23NO — CID 170634444

IUPACN-hexyl-N-[(E)-pent-2-en-2-yl]formamide
SMILESCC/C=C(\C)N(C=O)CCCCCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-10-13(11-14)12(3)9-5-2/h9,11H,4-8,10H2,1-3H3/b12-9+
InChIKeyKQPXUJZUXCZBGX-FMIVXFBMSA-N
MW197.32 g/mol
LogP3.34
Rot. Bonds8

About N-hexyl-N-[(E)-pent-2-en-2-yl]formamide

N-hexyl-N-[(E)-pent-2-en-2-yl]formamide (PubChem CID 170634444) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-hexyl-N-[(E)-pent-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-hexyl-N-[(E)-pent-2-en-2-yl]formamide
PubChem CID170634444
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-hexyl-N-[(E)-pent-2-en-2-yl]formamide
SMILESCC/C=C(\C)N(C=O)CCCCCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-10-13(11-14)12(3)9-5-2/h9,11H,4-8,10H2,1-3H3/b12-9+
InChIKeyKQPXUJZUXCZBGX-FMIVXFBMSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[(E)-pent-2-en-2-yl]formamide?
The IUPAC name of N-hexyl-N-[(E)-pent-2-en-2-yl]formamide (CID 170634444) is N-hexyl-N-[(E)-pent-2-en-2-yl]formamide.
What is the SMILES notation for N-hexyl-N-[(E)-pent-2-en-2-yl]formamide?
The canonical SMILES for N-hexyl-N-[(E)-pent-2-en-2-yl]formamide is CC/C=C(\C)N(C=O)CCCCCC.
What is the InChIKey of N-hexyl-N-[(E)-pent-2-en-2-yl]formamide?
The InChIKey is KQPXUJZUXCZBGX-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-7-8-10-13(11-14)12(3)9-5-2/h9,11H,4-8,10H2,1-3H3/b12-9+.
What are the key properties of N-hexyl-N-[(E)-pent-2-en-2-yl]formamide?
N-hexyl-N-[(E)-pent-2-en-2-yl]formamide has a molecular weight of 197.32 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[(E)-pent-2-en-2-yl]formamide is sourced from PubChem (CID 170634444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).