4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol

C12H19NO — CID 130528642

IUPAC4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol
SMILESCC1CCCC(O)(c2ccc[nH]2)CC1
InChIInChI=1S/C12H19NO/c1-10-4-2-7-12(14,8-6-10)11-5-3-9-13-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3
InChIKeyJHBWPMRCUPQGQX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds1

About 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol

4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol (PubChem CID 130528642) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol
PubChem CID130528642
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol
SMILESCC1CCCC(O)(c2ccc[nH]2)CC1
InChIInChI=1S/C12H19NO/c1-10-4-2-7-12(14,8-6-10)11-5-3-9-13-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3
InChIKeyJHBWPMRCUPQGQX-UHFFFAOYSA-N
XLogP2.80
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol?
The IUPAC name of 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol (CID 130528642) is 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol?
The canonical SMILES for 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol is CC1CCCC(O)(c2ccc[nH]2)CC1.
What is the InChIKey of 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol?
The InChIKey is JHBWPMRCUPQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-2-7-12(14,8-6-10)11-5-3-9-13-11/h3,5,9-10,13-14H,2,4,6-8H2,1H3.
What are the key properties of 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol?
4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol is sourced from PubChem (CID 130528642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).