N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide

C11H19NO — CID 23629184

IUPACN-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
SMILESC/C=C(\C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+
InChIKeyLHGVTFVNZGFRFU-YCRREMRBSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds2

About N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide

N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide (PubChem CID 23629184) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
PubChem CID23629184
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
SMILESC/C=C(\C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+
InChIKeyLHGVTFVNZGFRFU-YCRREMRBSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(but-2-en-2-ylcarbamoyl)cycloheptyl] formate
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acetaldehyde;1-cyclohexylethanone;ethane
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acetaldehyde;N-cyclohexylcyclopropanecarboxamide
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N-cyclopropylcycloheptanecarboxamide
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N-cycloheptylcycloheptanecarboxamide
CID 129091005
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CID 171722262
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
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CID 65022755

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide (CID 23629184) is N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide is C/C=C(\C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide?
The InChIKey is LHGVTFVNZGFRFU-YCRREMRBSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h3,10H,4-8H2,1-2H3,(H,12,13)/b9-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide?
N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 23629184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).