N-(2-propylidenehex-3-enyl)formamide

C10H17NO — CID 91044055

IUPACN-(2-propylidenehex-3-enyl)formamide
SMILESCCC=CC(=CCC)CNC=O
InChIInChI=1S/C10H17NO/c1-3-5-7-10(6-4-2)8-11-9-12/h5-7,9H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyCNVJGJUTVOMBAV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.04
Rot. Bonds6

About N-(2-propylidenehex-3-enyl)formamide

N-(2-propylidenehex-3-enyl)formamide (PubChem CID 91044055) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-propylidenehex-3-enyl)formamide.

Molecular Properties

Compound NameN-(2-propylidenehex-3-enyl)formamide
PubChem CID91044055
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-propylidenehex-3-enyl)formamide
SMILESCCC=CC(=CCC)CNC=O
InChIInChI=1S/C10H17NO/c1-3-5-7-10(6-4-2)8-11-9-12/h5-7,9H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyCNVJGJUTVOMBAV-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylidenehex-3-enyl)formamide?
The IUPAC name of N-(2-propylidenehex-3-enyl)formamide (CID 91044055) is N-(2-propylidenehex-3-enyl)formamide.
What is the SMILES notation for N-(2-propylidenehex-3-enyl)formamide?
The canonical SMILES for N-(2-propylidenehex-3-enyl)formamide is CCC=CC(=CCC)CNC=O.
What is the InChIKey of N-(2-propylidenehex-3-enyl)formamide?
The InChIKey is CNVJGJUTVOMBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-7-10(6-4-2)8-11-9-12/h5-7,9H,3-4,8H2,1-2H3,(H,11,12).
What are the key properties of N-(2-propylidenehex-3-enyl)formamide?
N-(2-propylidenehex-3-enyl)formamide has a molecular weight of 167.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylidenehex-3-enyl)formamide is sourced from PubChem (CID 91044055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).