(2S)-2-(chloroamino)-3-prop-2-enoxypropanal

C6H10ClNO2 — CID 88982333

IUPAC(2S)-2-(chloroamino)-3-prop-2-enoxypropanal
SMILESC=CCOC[C@@H](C=O)NCl
InChIInChI=1S/C6H10ClNO2/c1-2-3-10-5-6(4-9)8-7/h2,4,6,8H,1,3,5H2/t6-/m1/s1
InChIKeyKODPYNOWDAWGCV-ZCFIWIBFSA-N
MW163.60 g/mol
LogP0.50
Rot. Bonds6

About (2S)-2-(chloroamino)-3-prop-2-enoxypropanal

(2S)-2-(chloroamino)-3-prop-2-enoxypropanal (PubChem CID 88982333) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2S)-2-(chloroamino)-3-prop-2-enoxypropanal.

Molecular Properties

Compound Name(2S)-2-(chloroamino)-3-prop-2-enoxypropanal
PubChem CID88982333
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2S)-2-(chloroamino)-3-prop-2-enoxypropanal
SMILESC=CCOC[C@@H](C=O)NCl
InChIInChI=1S/C6H10ClNO2/c1-2-3-10-5-6(4-9)8-7/h2,4,6,8H,1,3,5H2/t6-/m1/s1
InChIKeyKODPYNOWDAWGCV-ZCFIWIBFSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-prop-2-enoxyethanamine;hydrochloride
CID 174944456
N-(2-prop-2-enoxyethyl)formamide
CID 126975868
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
Potassium allyloxide
CID 87828396
1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane
CID 15277569
CID 155545800
CID 155545800
1,2-dinitroso-3-prop-2-enoxypropane
CID 88888535
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
CID 154701098
CID 154701098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloroamino)-3-prop-2-enoxypropanal?
The IUPAC name of (2S)-2-(chloroamino)-3-prop-2-enoxypropanal (CID 88982333) is (2S)-2-(chloroamino)-3-prop-2-enoxypropanal.
What is the SMILES notation for (2S)-2-(chloroamino)-3-prop-2-enoxypropanal?
The canonical SMILES for (2S)-2-(chloroamino)-3-prop-2-enoxypropanal is C=CCOC[C@@H](C=O)NCl.
What is the InChIKey of (2S)-2-(chloroamino)-3-prop-2-enoxypropanal?
The InChIKey is KODPYNOWDAWGCV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-2-3-10-5-6(4-9)8-7/h2,4,6,8H,1,3,5H2/t6-/m1/s1.
What are the key properties of (2S)-2-(chloroamino)-3-prop-2-enoxypropanal?
(2S)-2-(chloroamino)-3-prop-2-enoxypropanal has a molecular weight of 163.60 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloroamino)-3-prop-2-enoxypropanal is sourced from PubChem (CID 88982333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).