N-oct-1-en-3-ylformamide

C9H17NO — CID 87378047

IUPACN-oct-1-en-3-ylformamide
SMILESC=CC(CCCCC)NC=O
InChIInChI=1S/C9H17NO/c1-3-5-6-7-9(4-2)10-8-11/h4,8-9H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyUYALQBNQJMQLDF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds7

About N-oct-1-en-3-ylformamide

N-oct-1-en-3-ylformamide (PubChem CID 87378047) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-oct-1-en-3-ylformamide.

Molecular Properties

Compound NameN-oct-1-en-3-ylformamide
PubChem CID87378047
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-oct-1-en-3-ylformamide
SMILESC=CC(CCCCC)NC=O
InChIInChI=1S/C9H17NO/c1-3-5-6-7-9(4-2)10-8-11/h4,8-9H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyUYALQBNQJMQLDF-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of N-oct-1-en-3-ylformamide?
The IUPAC name of N-oct-1-en-3-ylformamide (CID 87378047) is N-oct-1-en-3-ylformamide.
What is the SMILES notation for N-oct-1-en-3-ylformamide?
The canonical SMILES for N-oct-1-en-3-ylformamide is C=CC(CCCCC)NC=O.
What is the InChIKey of N-oct-1-en-3-ylformamide?
The InChIKey is UYALQBNQJMQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-7-9(4-2)10-8-11/h4,8-9H,2-3,5-7H2,1H3,(H,10,11).
What are the key properties of N-oct-1-en-3-ylformamide?
N-oct-1-en-3-ylformamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-1-en-3-ylformamide is sourced from PubChem (CID 87378047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).