N,N-bis(prop-2-enyl)cyclohexanecarboxamide

C13H21NO — CID 3284137

IUPACN,N-bis(prop-2-enyl)cyclohexanecarboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyRTEQXTQZZCSESO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds5

About N,N-bis(prop-2-enyl)cyclohexanecarboxamide

N,N-bis(prop-2-enyl)cyclohexanecarboxamide (PubChem CID 3284137) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)cyclohexanecarboxamide
PubChem CID3284137
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-bis(prop-2-enyl)cyclohexanecarboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyRTEQXTQZZCSESO-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
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-bis(prop-2-enyl)cyclohexanecarboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)cyclohexanecarboxamide (CID 3284137) is N,N-bis(prop-2-enyl)cyclohexanecarboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)cyclohexanecarboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)cyclohexanecarboxamide is C=CCN(CC=C)C(=O)C1CCCCC1.
What is the InChIKey of N,N-bis(prop-2-enyl)cyclohexanecarboxamide?
The InChIKey is RTEQXTQZZCSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2.
What are the key properties of N,N-bis(prop-2-enyl)cyclohexanecarboxamide?
N,N-bis(prop-2-enyl)cyclohexanecarboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)cyclohexanecarboxamide is sourced from PubChem (CID 3284137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).