N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide

C14H23NO — CID 10398600

IUPACN,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CC)CC)CC1
InChIInChI=1S/C14H23NO/c1-5-15(6-2)14(16)13-9-7-12(8-10-13)11(3)4/h9,12H,3,5-8,10H2,1-2,4H3
InChIKeyFBPOSYBHBCHKOJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds4

About N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide

N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide (PubChem CID 10398600) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
PubChem CID10398600
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CC)CC)CC1
InChIInChI=1S/C14H23NO/c1-5-15(6-2)14(16)13-9-7-12(8-10-13)11(3)4/h9,12H,3,5-8,10H2,1-2,4H3
InChIKeyFBPOSYBHBCHKOJ-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The IUPAC name of N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide (CID 10398600) is N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide is C=C(C)C1CC=C(C(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The InChIKey is FBPOSYBHBCHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15(6-2)14(16)13-9-7-12(8-10-13)11(3)4/h9,12H,3,5-8,10H2,1-2,4H3.
What are the key properties of N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 10398600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).