1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane

C8H11NO — CID 89381273

IUPAC1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane
SMILESC=CC1C(=C)C1C(C)N=O
InChIInChI=1S/C8H11NO/c1-4-7-5(2)8(7)6(3)9-10/h4,6-8H,1-2H2,3H3
InChIKeyIPSGNRFHIONHTG-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.13
Rot. Bonds3

About 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane

1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane (PubChem CID 89381273) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane
PubChem CID89381273
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane
SMILESC=CC1C(=C)C1C(C)N=O
InChIInChI=1S/C8H11NO/c1-4-7-5(2)8(7)6(3)9-10/h4,6-8H,1-2H2,3H3
InChIKeyIPSGNRFHIONHTG-UHFFFAOYSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane?
The IUPAC name of 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane (CID 89381273) is 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane.
What is the SMILES notation for 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane?
The canonical SMILES for 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane is C=CC1C(=C)C1C(C)N=O.
What is the InChIKey of 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane?
The InChIKey is IPSGNRFHIONHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-7-5(2)8(7)6(3)9-10/h4,6-8H,1-2H2,3H3.
What are the key properties of 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane?
1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane has a molecular weight of 137.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylidene-3-(1-nitrosoethyl)cyclopropane is sourced from PubChem (CID 89381273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).