N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide

C13H20N2O2 — CID 115277419

IUPACN-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide
SMILESCN(C(=O)Cc1cc[nH]c1)C1CCC(O)CC1
InChIInChI=1S/C13H20N2O2/c1-15(11-2-4-12(16)5-3-11)13(17)8-10-6-7-14-9-10/h6-7,9,11-12,14,16H,2-5,8H2,1H3
InChIKeyBDTJDBRBWLMYSO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide

N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 115277419) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide
PubChem CID115277419
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide
SMILESCN(C(=O)Cc1cc[nH]c1)C1CCC(O)CC1
InChIInChI=1S/C13H20N2O2/c1-15(11-2-4-12(16)5-3-11)13(17)8-10-6-7-14-9-10/h6-7,9,11-12,14,16H,2-5,8H2,1H3
InChIKeyBDTJDBRBWLMYSO-UHFFFAOYSA-N
XLogP1.32
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide (CID 115277419) is N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide is CN(C(=O)Cc1cc[nH]c1)C1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is BDTJDBRBWLMYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-2-4-12(16)5-3-11)13(17)8-10-6-7-14-9-10/h6-7,9,11-12,14,16H,2-5,8H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide?
N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methyl-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 115277419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).