1-nitroso-3-prop-1-en-2-yloxypropane

C6H11NO2 — CID 89423638

IUPAC1-nitroso-3-prop-1-en-2-yloxypropane
SMILESC=C(C)OCCCN=O
InChIInChI=1S/C6H11NO2/c1-6(2)9-5-3-4-7-8/h1,3-5H2,2H3
InChIKeyUWFGACAGFFELPQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.69
Rot. Bonds5

About 1-nitroso-3-prop-1-en-2-yloxypropane

1-nitroso-3-prop-1-en-2-yloxypropane (PubChem CID 89423638) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-nitroso-3-prop-1-en-2-yloxypropane.

Molecular Properties

Compound Name1-nitroso-3-prop-1-en-2-yloxypropane
PubChem CID89423638
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-nitroso-3-prop-1-en-2-yloxypropane
SMILESC=C(C)OCCCN=O
InChIInChI=1S/C6H11NO2/c1-6(2)9-5-3-4-7-8/h1,3-5H2,2H3
InChIKeyUWFGACAGFFELPQ-UHFFFAOYSA-N
XLogP1.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-nitroso-3-prop-1-en-2-yloxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(prop-1-en-2-yloxy)propane;methane
CID 162270596
3-nitrosopropyl prop-2-enoate
CID 88958376
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
CID 88908375
2-(8-prop-1-en-2-yloxyoctylamino)ethanol
CID 177029653
2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 175050176
2-(2-prop-1-en-2-yloxyethoxy)ethanol
CID 87206577
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
1,1,1-trifluoro-3-prop-1-en-2-yloxypropane
CID 162573661
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-3-prop-1-en-2-yloxypropane?
The IUPAC name of 1-nitroso-3-prop-1-en-2-yloxypropane (CID 89423638) is 1-nitroso-3-prop-1-en-2-yloxypropane.
What is the SMILES notation for 1-nitroso-3-prop-1-en-2-yloxypropane?
The canonical SMILES for 1-nitroso-3-prop-1-en-2-yloxypropane is C=C(C)OCCCN=O.
What is the InChIKey of 1-nitroso-3-prop-1-en-2-yloxypropane?
The InChIKey is UWFGACAGFFELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)9-5-3-4-7-8/h1,3-5H2,2H3.
What are the key properties of 1-nitroso-3-prop-1-en-2-yloxypropane?
1-nitroso-3-prop-1-en-2-yloxypropane has a molecular weight of 129.16 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-3-prop-1-en-2-yloxypropane is sourced from PubChem (CID 89423638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).