(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

C17H19NO2 — CID 115275398

IUPAC(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(C)CC(O)CN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-17(2)10-13(19)11-18(17)16(20)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,10-11H2,1-2H3
InChIKeyKLIZKUSMNURKKE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.83
Rot. Bonds1

About (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 115275398) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
PubChem CID115275398
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(C)CC(O)CN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-17(2)10-13(19)11-18(17)16(20)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,10-11H2,1-2H3
InChIKeyKLIZKUSMNURKKE-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275261
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one
CID 46193990
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (CID 115275398) is (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is CC1(C)CC(O)CN1C(=O)c1cccc2ccccc12.
What is the InChIKey of (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is KLIZKUSMNURKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2)10-13(19)11-18(17)16(20)15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,19H,10-11H2,1-2H3.
What are the key properties of (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 269.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 115275398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).