(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone

C18H21NO2 — CID 115667736

IUPAC(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C18H21NO2/c1-2-5-13-8-9-19(12-13)18(21)16-10-14-6-3-4-7-15(14)11-17(16)20/h3-4,6-7,10-11,13,20H,2,5,8-9,12H2,1H3
InChIKeyAJDDPOKBAQBWBP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds3

About (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone

(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 115667736) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID115667736
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C18H21NO2/c1-2-5-13-8-9-19(12-13)18(21)16-10-14-6-3-4-7-15(14)11-17(16)20/h3-4,6-7,10-11,13,20H,2,5,8-9,12H2,1H3
InChIKeyAJDDPOKBAQBWBP-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 115667736) is (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc3ccccc3cc2O)C1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is AJDDPOKBAQBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-5-13-8-9-19(12-13)18(21)16-10-14-6-3-4-7-15(14)11-17(16)20/h3-4,6-7,10-11,13,20H,2,5,8-9,12H2,1H3.
What are the key properties of (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115667736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).