3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one

C14H17ClN2O — CID 66893703

IUPAC3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one
SMILESNC1CCN([C@@H]2CCCc3ccc(Cl)cc32)C1=O
InChIInChI=1S/C14H17ClN2O/c15-10-5-4-9-2-1-3-13(11(9)8-10)17-7-6-12(16)14(17)18/h4-5,8,12-13H,1-3,6-7,16H2/t12?,13-/m1/s1
InChIKeyISYRXNAEXSKOEV-ZGTCLIOFSA-N
MW264.76 g/mol
LogP2.28
Rot. Bonds1

About 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one

3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one (PubChem CID 66893703) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one
PubChem CID66893703
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one
SMILESNC1CCN([C@@H]2CCCc3ccc(Cl)cc32)C1=O
InChIInChI=1S/C14H17ClN2O/c15-10-5-4-9-2-1-3-13(11(9)8-10)17-7-6-12(16)14(17)18/h4-5,8,12-13H,1-3,6-7,16H2/t12?,13-/m1/s1
InChIKeyISYRXNAEXSKOEV-ZGTCLIOFSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one (CID 66893703) is 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one is NC1CCN([C@@H]2CCCc3ccc(Cl)cc32)C1=O.
What is the InChIKey of 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one?
The InChIKey is ISYRXNAEXSKOEV-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-10-5-4-9-2-1-3-13(11(9)8-10)17-7-6-12(16)14(17)18/h4-5,8,12-13H,1-3,6-7,16H2/t12?,13-/m1/s1.
What are the key properties of 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one?
3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one has a molecular weight of 264.76 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 66893703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).