N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide

C13H23NO — CID 123740265

IUPACN-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide
SMILESCCC=C(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-4-8-11(2)14(3)13(15)12-9-6-5-7-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyQNTQQVRSAFVSCB-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.34
Rot. Bonds3

About N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide

N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide (PubChem CID 123740265) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide
PubChem CID123740265
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide
SMILESCCC=C(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-4-8-11(2)14(3)13(15)12-9-6-5-7-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyQNTQQVRSAFVSCB-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide?
The IUPAC name of N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide (CID 123740265) is N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide is CCC=C(C)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide?
The InChIKey is QNTQQVRSAFVSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-8-11(2)14(3)13(15)12-9-6-5-7-10-12/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide?
N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide has a molecular weight of 209.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 123740265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).