5-methyl-1H-cyclohepta[b]pyrrol-5-ol

C10H11NO — CID 143306256

IUPAC5-methyl-1H-cyclohepta[b]pyrrol-5-ol
SMILESCC1(O)C=CC=c2[nH]ccc2=C1
InChIInChI=1S/C10H11NO/c1-10(12)5-2-3-9-8(7-10)4-6-11-9/h2-7,11-12H,1H3
InChIKeySVENQCPWVKZOAJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.10
Rot. Bonds

About 5-methyl-1H-cyclohepta[b]pyrrol-5-ol

5-methyl-1H-cyclohepta[b]pyrrol-5-ol (PubChem CID 143306256) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-methyl-1H-cyclohepta[b]pyrrol-5-ol.

Molecular Properties

Compound Name5-methyl-1H-cyclohepta[b]pyrrol-5-ol
PubChem CID143306256
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-methyl-1H-cyclohepta[b]pyrrol-5-ol
SMILESCC1(O)C=CC=c2[nH]ccc2=C1
InChIInChI=1S/C10H11NO/c1-10(12)5-2-3-9-8(7-10)4-6-11-9/h2-7,11-12H,1H3
InChIKeySVENQCPWVKZOAJ-UHFFFAOYSA-N
XLogP-0.10
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
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CID 141340000
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
CID 142269992
1H-cyclohepta[b]pyridin-5-ol
CID 153721175
CID 162361492
CID 162361492
1,6-Dimethyl-5-(methylamino)azepin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-cyclohepta[b]pyrrol-5-ol?
The IUPAC name of 5-methyl-1H-cyclohepta[b]pyrrol-5-ol (CID 143306256) is 5-methyl-1H-cyclohepta[b]pyrrol-5-ol.
What is the SMILES notation for 5-methyl-1H-cyclohepta[b]pyrrol-5-ol?
The canonical SMILES for 5-methyl-1H-cyclohepta[b]pyrrol-5-ol is CC1(O)C=CC=c2[nH]ccc2=C1.
What is the InChIKey of 5-methyl-1H-cyclohepta[b]pyrrol-5-ol?
The InChIKey is SVENQCPWVKZOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(12)5-2-3-9-8(7-10)4-6-11-9/h2-7,11-12H,1H3.
What are the key properties of 5-methyl-1H-cyclohepta[b]pyrrol-5-ol?
5-methyl-1H-cyclohepta[b]pyrrol-5-ol has a molecular weight of 161.20 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-cyclohepta[b]pyrrol-5-ol is sourced from PubChem (CID 143306256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).