2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

C18H25NO — CID 132989547

IUPAC2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1
InChIInChI=1S/C18H25NO/c1-2-17(19-11-5-6-12-19)18(20)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyDNKYSKGKPOHTKY-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.62
Rot. Bonds4

About 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (PubChem CID 132989547) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
PubChem CID132989547
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1
InChIInChI=1S/C18H25NO/c1-2-17(19-11-5-6-12-19)18(20)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyDNKYSKGKPOHTKY-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
Naphyrone
CID 11243002
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860
alpha-Pyrrolidinononanophenone
CID 69247748
alpha-PHP
CID 102107923
1-(2-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311147
4'-Fluoro-alpha-pyrrolidinopentiophenone
CID 11322641
Alpha-Pyrrolidinopropiophenone
CID 209045
1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
2-(Pyrrolidin-1-yl)-1-(p-tolyl)hexan-1-one
CID 6423085

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (CID 132989547) is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is CCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The InChIKey is DNKYSKGKPOHTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-17(19-11-5-6-12-19)18(20)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 132989547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).