N-but-2-en-2-yl-N-methylcyclohexanecarboxamide

C12H21NO — CID 123979449

IUPACN-but-2-en-2-yl-N-methylcyclohexanecarboxamide
SMILESCC=C(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h4,11H,5-9H2,1-3H3
InChIKeyNFIPUZTWVYOVFX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds2

About N-but-2-en-2-yl-N-methylcyclohexanecarboxamide

N-but-2-en-2-yl-N-methylcyclohexanecarboxamide (PubChem CID 123979449) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-but-2-en-2-yl-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N-methylcyclohexanecarboxamide
PubChem CID123979449
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-but-2-en-2-yl-N-methylcyclohexanecarboxamide
SMILESCC=C(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h4,11H,5-9H2,1-3H3
InChIKeyNFIPUZTWVYOVFX-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N-methylcyclohexanecarboxamide?
The IUPAC name of N-but-2-en-2-yl-N-methylcyclohexanecarboxamide (CID 123979449) is N-but-2-en-2-yl-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-but-2-en-2-yl-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-but-2-en-2-yl-N-methylcyclohexanecarboxamide is CC=C(C)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-but-2-en-2-yl-N-methylcyclohexanecarboxamide?
The InChIKey is NFIPUZTWVYOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h4,11H,5-9H2,1-3H3.
What are the key properties of N-but-2-en-2-yl-N-methylcyclohexanecarboxamide?
N-but-2-en-2-yl-N-methylcyclohexanecarboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 123979449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).