3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone

C15H17NO — CID 102580684

IUPAC3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1=Cc2ccccc2CC1)N1CCCC1
InChIInChI=1S/C15H17NO/c17-15(16-9-3-4-10-16)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11H,3-4,7-10H2
InChIKeyHUSKSBPDCMYDEH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds1

About 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone

3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 102580684) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
PubChem CID102580684
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1=Cc2ccccc2CC1)N1CCCC1
InChIInChI=1S/C15H17NO/c17-15(16-9-3-4-10-16)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11H,3-4,7-10H2
InChIKeyHUSKSBPDCMYDEH-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542
(Z)-3-(3,4-dihydronaphthalen-2-yl)-2,3-diphenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 21152102
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 46483857
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
CID 117125964
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid
CID 175507946
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone (CID 102580684) is 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone is O=C(C1=Cc2ccccc2CC1)N1CCCC1.
What is the InChIKey of 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is HUSKSBPDCMYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15(16-9-3-4-10-16)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone?
3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 102580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).