N-[(E)-hept-2-enyl]-N-prop-2-enylformamide

C11H19NO — CID 87924986

IUPACN-[(E)-hept-2-enyl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C/C=C/CCCC
InChIInChI=1S/C11H19NO/c1-3-5-6-7-8-10-12(11-13)9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3/b8-7+
InChIKeyRKNZKFTXGAPYLW-BQYQJAHWSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds8

About N-[(E)-hept-2-enyl]-N-prop-2-enylformamide

N-[(E)-hept-2-enyl]-N-prop-2-enylformamide (PubChem CID 87924986) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(E)-hept-2-enyl]-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-[(E)-hept-2-enyl]-N-prop-2-enylformamide
PubChem CID87924986
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(E)-hept-2-enyl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C/C=C/CCCC
InChIInChI=1S/C11H19NO/c1-3-5-6-7-8-10-12(11-13)9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3/b8-7+
InChIKeyRKNZKFTXGAPYLW-BQYQJAHWSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-2-enyl]-N-prop-2-enylformamide?
The IUPAC name of N-[(E)-hept-2-enyl]-N-prop-2-enylformamide (CID 87924986) is N-[(E)-hept-2-enyl]-N-prop-2-enylformamide.
What is the SMILES notation for N-[(E)-hept-2-enyl]-N-prop-2-enylformamide?
The canonical SMILES for N-[(E)-hept-2-enyl]-N-prop-2-enylformamide is C=CCN(C=O)C/C=C/CCCC.
What is the InChIKey of N-[(E)-hept-2-enyl]-N-prop-2-enylformamide?
The InChIKey is RKNZKFTXGAPYLW-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-7-8-10-12(11-13)9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3/b8-7+.
What are the key properties of N-[(E)-hept-2-enyl]-N-prop-2-enylformamide?
N-[(E)-hept-2-enyl]-N-prop-2-enylformamide has a molecular weight of 181.28 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-2-enyl]-N-prop-2-enylformamide is sourced from PubChem (CID 87924986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).