2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide

C13H22N2O2 — CID 132969236

IUPAC2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
SMILESCC/C=C(\C)C(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C13H22N2O2/c1-3-6-9(2)13(17)15-11-8-5-4-7-10(11)12(14)16/h6,10-11H,3-5,7-8H2,1-2H3,(H2,14,16)(H,15,17)/b9-6+
InChIKeyMAAQIRSUCHVMQU-RMKNXTFCSA-N
MW238.33 g/mol
LogP1.50
Rot. Bonds4

About 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide

2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide (PubChem CID 132969236) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
PubChem CID132969236
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
SMILESCC/C=C(\C)C(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C13H22N2O2/c1-3-6-9(2)13(17)15-11-8-5-4-7-10(11)12(14)16/h6,10-11H,3-5,7-8H2,1-2H3,(H2,14,16)(H,15,17)/b9-6+
InChIKeyMAAQIRSUCHVMQU-RMKNXTFCSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-2-methylbut-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 115909861
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
CID 43508881
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
CID 175700374
N-(azetidin-3-yl)-2-methylpent-2-enamide
CID 77114451
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
CID 124829798
ethyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701654
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide (CID 132969236) is 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide is CC/C=C(\C)C(=O)NC1CCCCC1C(N)=O.
What is the InChIKey of 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide?
The InChIKey is MAAQIRSUCHVMQU-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-9(2)13(17)15-11-8-5-4-7-10(11)12(14)16/h6,10-11H,3-5,7-8H2,1-2H3,(H2,14,16)(H,15,17)/b9-6+.
What are the key properties of 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide?
2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 132969236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).