(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone

C16H17NO — CID 81429349

IUPAC(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ccc2ccccc2c1C(=O)C1CCCN1
InChIInChI=1S/C16H17NO/c1-11-8-9-12-5-2-3-6-13(12)15(11)16(18)14-7-4-10-17-14/h2-3,5-6,8-9,14,17H,4,7,10H2,1H3
InChIKeyHNAQEMFOGCVETH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.08
Rot. Bonds2

About (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone

(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone (PubChem CID 81429349) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
PubChem CID81429349
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
SMILESCc1ccc2ccccc2c1C(=O)C1CCCN1
InChIInChI=1S/C16H17NO/c1-11-8-9-12-5-2-3-6-13(12)15(11)16(18)14-7-4-10-17-14/h2-3,5-6,8-9,14,17H,4,7,10H2,1H3
InChIKeyHNAQEMFOGCVETH-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

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TH-Pvp
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1-(2-Naphthyl)-3-[(2-oxo-2-phenylethyl)amino]-2-propen-1-one
CID 5345820
2-[2-(Dimethylamino)ethylamino]phenalen-1-one
CID 145950225
2-(Diethylamino)-1-(naphthalen-2-yl)propan-1-one--hydrogen chloride (1/1)
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1-Propanone, 2-((1-methylethyl)amino)-1-(2-naphthalenyl)-, hydrochloride
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CID 53326964

Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone (CID 81429349) is (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone is Cc1ccc2ccccc2c1C(=O)C1CCCN1.
What is the InChIKey of (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is HNAQEMFOGCVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-8-9-12-5-2-3-6-13(12)15(11)16(18)14-7-4-10-17-14/h2-3,5-6,8-9,14,17H,4,7,10H2,1H3.
What are the key properties of (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone?
(2-methylnaphthalen-1-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 (2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 81429349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).