(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one

C14H17NO — CID 125488951

IUPAC(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CCc3ccccc3C2)N1
InChIInChI=1S/C14H17NO/c16-14-8-7-13(15-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13H,5-9H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyXENQLKWKCQKOLP-OLZOCXBDSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds1

About (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one

(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one (PubChem CID 125488951) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
PubChem CID125488951
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CCc3ccccc3C2)N1
InChIInChI=1S/C14H17NO/c16-14-8-7-13(15-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13H,5-9H2,(H,15,16)/t12-,13+/m1/s1
InChIKeyXENQLKWKCQKOLP-OLZOCXBDSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
(4aR,10bR)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10750589
2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 19707357
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533
(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
CID 10997766
(3aS,9aS)-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 86755477
(4aR,9aS)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-2-one
CID 18639715
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329
1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene
CID 91351407
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one (CID 125488951) is (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one is O=C1CC[C@@H]([C@@H]2CCc3ccccc3C2)N1.
What is the InChIKey of (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one?
The InChIKey is XENQLKWKCQKOLP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-8-7-13(15-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13H,5-9H2,(H,15,16)/t12-,13+/m1/s1.
What are the key properties of (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one?
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 125488951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).