3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one

C10H11NO — CID 83529110

IUPAC3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc[nH]2)CCC1
InChIInChI=1S/C10H11NO/c12-9-4-1-3-8(7-9)10-5-2-6-11-10/h2,5-7,11H,1,3-4H2
InChIKeyDRXUPBMKQQSFRG-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds1

About 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one

3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one (PubChem CID 83529110) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
PubChem CID83529110
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc[nH]2)CCC1
InChIInChI=1S/C10H11NO/c12-9-4-1-3-8(7-9)10-5-2-6-11-10/h2,5-7,11H,1,3-4H2
InChIKeyDRXUPBMKQQSFRG-UHFFFAOYSA-N
XLogP2.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one (CID 83529110) is 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one is O=C1C=C(c2ccc[nH]2)CCC1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one?
The InChIKey is DRXUPBMKQQSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-9-4-1-3-8(7-9)10-5-2-6-11-10/h2,5-7,11H,1,3-4H2.
What are the key properties of 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one?
3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one has a molecular weight of 161.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 83529110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).