1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone

C17H19NO — CID 116580409

IUPAC1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
SMILESCC1(C(=O)Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C17H19NO/c1-17(10-5-11-18-17)16(19)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3
InChIKeyDWBUODXGNFADGO-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds3

About 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone

1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone (PubChem CID 116580409) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
PubChem CID116580409
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
SMILESCC1(C(=O)Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C17H19NO/c1-17(10-5-11-18-17)16(19)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3
InChIKeyDWBUODXGNFADGO-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
CID 80685118
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043
2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 83062780
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
2-[2-[methyl-(2-methylpyrrolidine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548275
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone (CID 116580409) is 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone is CC1(C(=O)Cc2cccc3ccccc23)CCCN1.
What is the InChIKey of 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The InChIKey is DWBUODXGNFADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(10-5-11-18-17)16(19)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone has a molecular weight of 253.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 116580409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).