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

C19H23NO — CID 11565402

IUPAC1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C19H23NO/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3
InChIKeyPDYIKONOBSBEMS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds5

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

1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11565402) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11565402
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C19H23NO/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3
InChIKeyPDYIKONOBSBEMS-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one (CID 11565402) is 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1cccc2ccccc12)N1CCCC1.
What is the InChIKey of 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is PDYIKONOBSBEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3.
What are the key properties of 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one?
1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).