3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one

C10H15ClN2O — CID 130649424

IUPAC3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H15ClN2O/c1-10(2,3)8(12)7-4-6(11)5-13-9(7)14/h4-5,8H,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyTXFWBVDTTCJJDT-QMMMGPOBSA-N
MW214.70 g/mol
LogP2.07
Rot. Bonds1

About 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one

3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one (PubChem CID 130649424) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
PubChem CID130649424
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H15ClN2O/c1-10(2,3)8(12)7-4-6(11)5-13-9(7)14/h4-5,8H,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyTXFWBVDTTCJJDT-QMMMGPOBSA-N
XLogP2.07
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one (CID 130649424) is 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one is CC(C)(C)[C@@H](N)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one?
The InChIKey is TXFWBVDTTCJJDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-10(2,3)8(12)7-4-6(11)5-13-9(7)14/h4-5,8H,12H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one?
3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one has a molecular weight of 214.70 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one is sourced from PubChem (CID 130649424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).