(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

C16H17NO2 — CID 103726762

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H17NO2/c1-16(19)9-10-17(11-16)15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,19H,9-11H2,1H3
InChIKeyPCFNOEUCSMSDBF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.44
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 103726762) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
PubChem CID103726762
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H17NO2/c1-16(19)9-10-17(11-16)15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,19H,9-11H2,1H3
InChIKeyPCFNOEUCSMSDBF-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 136539261
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (CID 103726762) is (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is CC1(O)CCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is PCFNOEUCSMSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(19)9-10-17(11-16)15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,19H,9-11H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 103726762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).