naphthalen-2-yl(1H-pyrrol-2-yl)methanone

C15H11NO — CID 63749786

IUPACnaphthalen-2-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc[nH]1
InChIInChI=1S/C15H11NO/c17-15(14-6-3-9-16-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-10,16H
InChIKeyQDQSERFDDFTWJL-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.40
Rot. Bonds2

About naphthalen-2-yl(1H-pyrrol-2-yl)methanone

naphthalen-2-yl(1H-pyrrol-2-yl)methanone (PubChem CID 63749786) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is naphthalen-2-yl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(1H-pyrrol-2-yl)methanone
PubChem CID63749786
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Namenaphthalen-2-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1ccc[nH]1
InChIInChI=1S/C15H11NO/c17-15(14-6-3-9-16-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-10,16H
InChIKeyQDQSERFDDFTWJL-UHFFFAOYSA-N
XLogP3.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82874621
(4-amino-3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82786984
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
naphthalene-2-carboxylic acid
CID 175967775
cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 39967874
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
potassium naphthalene-2-carboxylate
CID 23664129

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(1H-pyrrol-2-yl)methanone?
The IUPAC name of naphthalen-2-yl(1H-pyrrol-2-yl)methanone (CID 63749786) is naphthalen-2-yl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for naphthalen-2-yl(1H-pyrrol-2-yl)methanone is O=C(c1ccc2ccccc2c1)c1ccc[nH]1.
What is the InChIKey of naphthalen-2-yl(1H-pyrrol-2-yl)methanone?
The InChIKey is QDQSERFDDFTWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-15(14-6-3-9-16-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-10,16H.
What are the key properties of naphthalen-2-yl(1H-pyrrol-2-yl)methanone?
naphthalen-2-yl(1H-pyrrol-2-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63749786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).