di(pyrrol-1-yl)methanone

C9H8N2O — CID 27478

IUPACdi(pyrrol-1-yl)methanone
SMILESO=C(n1cccc1)n1cccc1
InChIInChI=1S/C9H8N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H
InChIKeyAVDNGGJZZVTQNA-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.81
Rot. Bonds

About di(pyrrol-1-yl)methanone

di(pyrrol-1-yl)methanone (PubChem CID 27478) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is di(pyrrol-1-yl)methanone.

Molecular Properties

Compound Namedi(pyrrol-1-yl)methanone
PubChem CID27478
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Namedi(pyrrol-1-yl)methanone
SMILESO=C(n1cccc1)n1cccc1
InChIInChI=1S/C9H8N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H
InChIKeyAVDNGGJZZVTQNA-UHFFFAOYSA-N
XLogP1.81
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrole-1-carboxamide
CID 237946
1-(1H-Pyrrol-1-ylmethyl)-1H-pyrrole
CID 556811
N,N-Dimethyl-1-(1H-pyrrol-1-yl)methanamine
CID 13149810
1H-Pyrrole-1-carbaldehyde
CID 14359580
N-tert-butylpyrrole-1-carboxamide
CID 85628149
1,5-bis(N-pyrrolyl)pentane
CID 139592614
1-(Pyrrol-1-ylmethyl)-3,4-bis(trifluoromethyl)pyrrole
CID 13539161
1,1'-(Hexane-1,6-diyl)bis(1h-pyrrole)
CID 86173528
N-tert-butyl-2-deuteriopyrrole-1-carboxamide
CID 134975771
1,2-Di(1H-pyrrol-1-yl)ethane
CID 4210221
N,N'-thiocarbonyldiazole
CID 11615273
1-(pyrrolidin-1-ylmethyl)-1H-pyrrole
CID 13539236

Frequently Asked Questions

What is the IUPAC name of di(pyrrol-1-yl)methanone?
The IUPAC name of di(pyrrol-1-yl)methanone (CID 27478) is di(pyrrol-1-yl)methanone.
What is the SMILES notation for di(pyrrol-1-yl)methanone?
The canonical SMILES for di(pyrrol-1-yl)methanone is O=C(n1cccc1)n1cccc1.
What is the InChIKey of di(pyrrol-1-yl)methanone?
The InChIKey is AVDNGGJZZVTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H.
What are the key properties of di(pyrrol-1-yl)methanone?
di(pyrrol-1-yl)methanone has a molecular weight of 160.18 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(pyrrol-1-yl)methanone is sourced from PubChem (CID 27478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).