1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

C19H24ClNO — CID 53326964

IUPAC1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H
InChIKeySIOVYKZRZLWQSY-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.71
Rot. Bonds5

About 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride

1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (PubChem CID 53326964) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
PubChem CID53326964
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
SMILESCCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H
InChIKeySIOVYKZRZLWQSY-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride (CID 53326964) is 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.Cl.
What is the InChIKey of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
The InChIKey is SIOVYKZRZLWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H.
What are the key properties of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride?
1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 53326964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).