(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone

C16H17NO — CID 116916835

IUPAC(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ccc2cc(C(=O)C3CCCN3)ccc2c1
InChIInChI=1S/C16H17NO/c1-11-4-5-13-10-14(7-6-12(13)9-11)16(18)15-3-2-8-17-15/h4-7,9-10,15,17H,2-3,8H2,1H3
InChIKeyYXKALXQKJGJTHQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.08
Rot. Bonds2

About (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone

(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone (PubChem CID 116916835) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
PubChem CID116916835
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ccc2cc(C(=O)C3CCCN3)ccc2c1
InChIInChI=1S/C16H17NO/c1-11-4-5-13-10-14(7-6-12(13)9-11)16(18)15-3-2-8-17-15/h4-7,9-10,15,17H,2-3,8H2,1H3
InChIKeyYXKALXQKJGJTHQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
CID 80500008
(4-methylphenyl) pyrrolidine-2-carboxylate
CID 82112769
[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82550245
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
(2-ethylsulfanyl-5-methylphenyl)-pyrrolidin-2-ylmethanone
CID 82553377

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone (CID 116916835) is (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone is Cc1ccc2cc(C(=O)C3CCCN3)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is YXKALXQKJGJTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-4-5-13-10-14(7-6-12(13)9-11)16(18)15-3-2-8-17-15/h4-7,9-10,15,17H,2-3,8H2,1H3.
What are the key properties of (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone?
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 239.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 116916835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).