1,2-dinitroso-3-prop-2-enoxypropane

C6H10N2O3 — CID 88888535

IUPAC1,2-dinitroso-3-prop-2-enoxypropane
SMILESC=CCOCC(CN=O)N=O
InChIInChI=1S/C6H10N2O3/c1-2-3-11-5-6(8-10)4-7-9/h2,6H,1,3-5H2
InChIKeyGZMLGTQVGFFHDK-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.09
Rot. Bonds7

About 1,2-dinitroso-3-prop-2-enoxypropane

1,2-dinitroso-3-prop-2-enoxypropane (PubChem CID 88888535) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1,2-dinitroso-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1,2-dinitroso-3-prop-2-enoxypropane
PubChem CID88888535
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1,2-dinitroso-3-prop-2-enoxypropane
SMILESC=CCOCC(CN=O)N=O
InChIInChI=1S/C6H10N2O3/c1-2-3-11-5-6(8-10)4-7-9/h2,6H,1,3-5H2
InChIKeyGZMLGTQVGFFHDK-UHFFFAOYSA-N
XLogP1.09
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 121451530
4-nitrosohepta-1,6-diene
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1-chloro-2-prop-2-enoxyethanamine;hydrochloride
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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
Potassium allyloxide
CID 87828396
CID 155545800
CID 155545800
N,N-dimethyl-2,3-dinitrosopropan-1-amine
CID 143697252
(2S)-2-(chloroamino)-3-prop-2-enoxypropanal
CID 88982333
4-isocyanato-5-(2-isocyanatopent-4-enoxy)pent-1-ene
CID 141143085
N-(2-prop-2-enoxyethyl)formamide
CID 126975868
CID 154701098
CID 154701098

Frequently Asked Questions

What is the IUPAC name of 1,2-dinitroso-3-prop-2-enoxypropane?
The IUPAC name of 1,2-dinitroso-3-prop-2-enoxypropane (CID 88888535) is 1,2-dinitroso-3-prop-2-enoxypropane.
What is the SMILES notation for 1,2-dinitroso-3-prop-2-enoxypropane?
The canonical SMILES for 1,2-dinitroso-3-prop-2-enoxypropane is C=CCOCC(CN=O)N=O.
What is the InChIKey of 1,2-dinitroso-3-prop-2-enoxypropane?
The InChIKey is GZMLGTQVGFFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-3-11-5-6(8-10)4-7-9/h2,6H,1,3-5H2.
What are the key properties of 1,2-dinitroso-3-prop-2-enoxypropane?
1,2-dinitroso-3-prop-2-enoxypropane has a molecular weight of 158.16 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinitroso-3-prop-2-enoxypropane is sourced from PubChem (CID 88888535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).