(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

C16H17NO2 — CID 7534925

IUPAC(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC1
InChIInChI=1S/C16H17NO2/c1-19-15-11-13-7-3-2-6-12(13)10-14(15)16(18)17-8-4-5-9-17/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyYSMWFNPDYOYUHP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.08
Rot. Bonds2

About (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 7534925) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID7534925
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC1
InChIInChI=1S/C16H17NO2/c1-19-15-11-13-7-3-2-6-12(13)10-14(15)16(18)17-8-4-5-9-17/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyYSMWFNPDYOYUHP-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (CID 7534925) is (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is COc1cc2ccccc2cc1C(=O)N1CCCC1.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YSMWFNPDYOYUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-15-11-13-7-3-2-6-12(13)10-14(15)16(18)17-8-4-5-9-17/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
(3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 7534925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).