N-hept-2-enyl-N-prop-2-enylformamide

C11H19NO — CID 90829682

IUPACN-hept-2-enyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC=CCCCC
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
InChIKeyRKNZKFTXGAPYLW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds8

About N-hept-2-enyl-N-prop-2-enylformamide

N-hept-2-enyl-N-prop-2-enylformamide (PubChem CID 90829682) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hept-2-enyl-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-hept-2-enyl-N-prop-2-enylformamide
PubChem CID90829682
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-hept-2-enyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC=CCCCC
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
InChIKeyRKNZKFTXGAPYLW-UHFFFAOYSA-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-hept-2-enyl-N-prop-2-enylformamide?
The IUPAC name of N-hept-2-enyl-N-prop-2-enylformamide (CID 90829682) is N-hept-2-enyl-N-prop-2-enylformamide.
What is the SMILES notation for N-hept-2-enyl-N-prop-2-enylformamide?
The canonical SMILES for N-hept-2-enyl-N-prop-2-enylformamide is C=CCN(C=O)CC=CCCCC.
What is the InChIKey of N-hept-2-enyl-N-prop-2-enylformamide?
The InChIKey is RKNZKFTXGAPYLW-UHFFFAOYSA-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.
What are the key properties of N-hept-2-enyl-N-prop-2-enylformamide?
N-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-hept-2-enyl-N-prop-2-enylformamide is sourced from PubChem (CID 90829682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).