N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

C13H20N2O2 — CID 64866563

IUPACN-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-9-5-6-11(15)12(16)14-10-13(17)7-3-2-4-8-13/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,16)
InChIKeyPCRNSRUFLDNABB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.45
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 64866563) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID64866563
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-9-5-6-11(15)12(16)14-10-13(17)7-3-2-4-8-13/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,16)
InChIKeyPCRNSRUFLDNABB-UHFFFAOYSA-N
XLogP1.45
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
N'-[2-(1-hydroxycyclopentyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 111536378
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 65119021
N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
CID 111445687
N-[(4-hydroxyoxan-4-yl)methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609728
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 110124435

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (CID 64866563) is N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is PCRNSRUFLDNABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-9-5-6-11(15)12(16)14-10-13(17)7-3-2-4-8-13/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 64866563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).