8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid

C16H15NO3 — CID 16773543

IUPAC8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)N3CCCC3)c12
InChIInChI=1S/C16H15NO3/c18-15(17-9-1-2-10-17)12-7-3-5-11-6-4-8-13(14(11)12)16(19)20/h3-8H,1-2,9-10H2,(H,19,20)
InChIKeyIEXPSFXQNZNGDB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.77
Rot. Bonds2

About 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid

8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid (PubChem CID 16773543) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
PubChem CID16773543
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)N3CCCC3)c12
InChIInChI=1S/C16H15NO3/c18-15(17-9-1-2-10-17)12-7-3-5-11-6-4-8-13(14(11)12)16(19)20/h3-8H,1-2,9-10H2,(H,19,20)
InChIKeyIEXPSFXQNZNGDB-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
(8-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 660137
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
CID 107214240
2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
8-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)naphthalene-1-carboxamide
CID 25044324
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid (CID 16773543) is 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(C(=O)N3CCCC3)c12.
What is the InChIKey of 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid?
The InChIKey is IEXPSFXQNZNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(17-9-1-2-10-17)12-7-3-5-11-6-4-8-13(14(11)12)16(19)20/h3-8H,1-2,9-10H2,(H,19,20).
What are the key properties of 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid?
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 16773543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).