(2S)-2-chloro-N-prop-2-enylpropanamide

C6H10ClNO — CID 14203945

IUPAC(2S)-2-chloro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Cl
InChIInChI=1S/C6H10ClNO/c1-3-4-8-6(9)5(2)7/h3,5H,1,4H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyIGQVZORBBWSCKH-YFKPBYRVSA-N
MW147.60 g/mol
LogP0.92
Rot. Bonds3

About (2S)-2-chloro-N-prop-2-enylpropanamide

(2S)-2-chloro-N-prop-2-enylpropanamide (PubChem CID 14203945) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (2S)-2-chloro-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-prop-2-enylpropanamide
PubChem CID14203945
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(2S)-2-chloro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Cl
InChIInChI=1S/C6H10ClNO/c1-3-4-8-6(9)5(2)7/h3,5H,1,4H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyIGQVZORBBWSCKH-YFKPBYRVSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
CID 126612629
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
CID 106174665
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 90762380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-chloro-N-prop-2-enylpropanamide (CID 14203945) is (2S)-2-chloro-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-chloro-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-chloro-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-prop-2-enylpropanamide?
The InChIKey is IGQVZORBBWSCKH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-3-4-8-6(9)5(2)7/h3,5H,1,4H2,2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-chloro-N-prop-2-enylpropanamide?
(2S)-2-chloro-N-prop-2-enylpropanamide has a molecular weight of 147.60 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-prop-2-enylpropanamide is sourced from PubChem (CID 14203945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).