(3R)-3-(2-methylanilino)cyclopentan-1-one

C12H15NO — CID 124706751

IUPAC(3R)-3-(2-methylanilino)cyclopentan-1-one
SMILESCc1ccccc1N[C@@H]1CCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-2-3-5-12(9)13-10-6-7-11(14)8-10/h2-5,10,13H,6-8H2,1H3/t10-/m1/s1
InChIKeyIEDAGHYDUSNNPN-SNVBAGLBSA-N
MW189.26 g/mol
LogP2.53
Rot. Bonds2

About (3R)-3-(2-methylanilino)cyclopentan-1-one

(3R)-3-(2-methylanilino)cyclopentan-1-one (PubChem CID 124706751) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-3-(2-methylanilino)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methylanilino)cyclopentan-1-one
PubChem CID124706751
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R)-3-(2-methylanilino)cyclopentan-1-one
SMILESCc1ccccc1N[C@@H]1CCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-2-3-5-12(9)13-10-6-7-11(14)8-10/h2-5,10,13H,6-8H2,1H3/t10-/m1/s1
InChIKeyIEDAGHYDUSNNPN-SNVBAGLBSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylanilino)cyclopentan-1-one?
The IUPAC name of (3R)-3-(2-methylanilino)cyclopentan-1-one (CID 124706751) is (3R)-3-(2-methylanilino)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-(2-methylanilino)cyclopentan-1-one?
The canonical SMILES for (3R)-3-(2-methylanilino)cyclopentan-1-one is Cc1ccccc1N[C@@H]1CCC(=O)C1.
What is the InChIKey of (3R)-3-(2-methylanilino)cyclopentan-1-one?
The InChIKey is IEDAGHYDUSNNPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-2-3-5-12(9)13-10-6-7-11(14)8-10/h2-5,10,13H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methylanilino)cyclopentan-1-one?
(3R)-3-(2-methylanilino)cyclopentan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylanilino)cyclopentan-1-one is sourced from PubChem (CID 124706751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).