(4S)-4-amino-1-chloropentan-2-one

C5H10ClNO — CID 174896033

IUPAC(4S)-4-amino-1-chloropentan-2-one
SMILESC[C@H](N)CC(=O)CCl
InChIInChI=1S/C5H10ClNO/c1-4(7)2-5(8)3-6/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyHQNVNOIASWWQGN-BYPYZUCNSA-N
MW135.59 g/mol
LogP0.53
Rot. Bonds3

About (4S)-4-amino-1-chloropentan-2-one

(4S)-4-amino-1-chloropentan-2-one (PubChem CID 174896033) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is (4S)-4-amino-1-chloropentan-2-one.

Molecular Properties

Compound Name(4S)-4-amino-1-chloropentan-2-one
PubChem CID174896033
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name(4S)-4-amino-1-chloropentan-2-one
SMILESC[C@H](N)CC(=O)CCl
InChIInChI=1S/C5H10ClNO/c1-4(7)2-5(8)3-6/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyHQNVNOIASWWQGN-BYPYZUCNSA-N
XLogP0.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-chloropentan-2-one?
The IUPAC name of (4S)-4-amino-1-chloropentan-2-one (CID 174896033) is (4S)-4-amino-1-chloropentan-2-one.
What is the SMILES notation for (4S)-4-amino-1-chloropentan-2-one?
The canonical SMILES for (4S)-4-amino-1-chloropentan-2-one is C[C@H](N)CC(=O)CCl.
What is the InChIKey of (4S)-4-amino-1-chloropentan-2-one?
The InChIKey is HQNVNOIASWWQGN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-4(7)2-5(8)3-6/h4H,2-3,7H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-4-amino-1-chloropentan-2-one?
(4S)-4-amino-1-chloropentan-2-one has a molecular weight of 135.59 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-chloropentan-2-one is sourced from PubChem (CID 174896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).