N-cyclohexyl-1-methylpyrrole-3-carboxamide

C12H18N2O — CID 110762624

IUPACN-cyclohexyl-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H18N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,13,15)
InChIKeyJKXOJSBCHQSJPC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.09
Rot. Bonds2

About N-cyclohexyl-1-methylpyrrole-3-carboxamide

N-cyclohexyl-1-methylpyrrole-3-carboxamide (PubChem CID 110762624) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclohexyl-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methylpyrrole-3-carboxamide
PubChem CID110762624
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-cyclohexyl-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H18N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,13,15)
InChIKeyJKXOJSBCHQSJPC-UHFFFAOYSA-N
XLogP2.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methylpyrrole-3-carboxamide (CID 110762624) is N-cyclohexyl-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-methylpyrrole-3-carboxamide?
The InChIKey is JKXOJSBCHQSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-7-10(9-14)12(15)13-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,13,15).
What are the key properties of N-cyclohexyl-1-methylpyrrole-3-carboxamide?
N-cyclohexyl-1-methylpyrrole-3-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).