methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one

C20H27NO — CID 117065161

IUPACmethane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESC.CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H23NO.CH4/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H4
InChIKeyHVZQWYSIPZXFOV-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.92
Rot. Bonds5

About methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one

methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 117065161) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Namemethane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID117065161
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Namemethane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESC.CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H23NO.CH4/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H4
InChIKeyHVZQWYSIPZXFOV-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11716875
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11515769
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
CID 11550626
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
CID 2845131
1-(4-prop-1-ynylphenyl)-2-pyrrolidin-1-ylpentan-1-one
CID 11594677
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
CID 147012728
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338

Frequently Asked Questions

What is the IUPAC name of methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one (CID 117065161) is methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one is C.CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is HVZQWYSIPZXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.CH4/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H4.
What are the key properties of methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 297.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 117065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).