4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide

C13H20N2O2 — CID 115151200

IUPAC4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1CCC(CO)CC1
InChIInChI=1S/C13H20N2O2/c16-9-10-1-3-12(4-2-10)13(17)15-8-11-5-6-14-7-11/h5-7,10,12,14,16H,1-4,8-9H2,(H,15,17)
InChIKeyMTMMPCGLTWZNPR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds4

About 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115151200) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115151200
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1CCC(CO)CC1
InChIInChI=1S/C13H20N2O2/c16-9-10-1-3-12(4-2-10)13(17)15-8-11-5-6-14-7-11/h5-7,10,12,14,16H,1-4,8-9H2,(H,15,17)
InChIKeyMTMMPCGLTWZNPR-UHFFFAOYSA-N
XLogP1.43
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
CID 106384933
5-methyl-N-(1H-pyrrol-3-ylmethyl)oxolane-2-carboxamide
CID 106385224
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
(1S,6R)-6-(1H-pyrrol-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 114181898
N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
CID 115968377
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906
2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide (CID 115151200) is 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1cc[nH]c1)C1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MTMMPCGLTWZNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-10-1-3-12(4-2-10)13(17)15-8-11-5-6-14-7-11/h5-7,10,12,14,16H,1-4,8-9H2,(H,15,17).
What are the key properties of 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).