1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine

C8H12N2 — CID 163277434

IUPAC1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C1CC1/C=C/C
InChIInChI=1S/C8H12N2/c1-2-3-6-4-7(6)8(10)5-9/h2-3,5-7,9-10H,4H2,1H3/b3-2+,9-5+,10-8+
InChIKeyREHRLGHMSRPRKP-FTSUTJIBSA-N
MW136.20 g/mol
LogP1.87
Rot. Bonds3

About 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine

1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine (PubChem CID 163277434) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine.

Molecular Properties

Compound Name1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine
PubChem CID163277434
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C1CC1/C=C/C
InChIInChI=1S/C8H12N2/c1-2-3-6-4-7(6)8(10)5-9/h2-3,5-7,9-10H,4H2,1H3/b3-2+,9-5+,10-8+
InChIKeyREHRLGHMSRPRKP-FTSUTJIBSA-N
XLogP1.87
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine?
The IUPAC name of 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine (CID 163277434) is 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine.
What is the SMILES notation for 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine?
The canonical SMILES for 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine is [H]/N=C(\C=N\[H])C1CC1/C=C/C.
What is the InChIKey of 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine?
The InChIKey is REHRLGHMSRPRKP-FTSUTJIBSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-6-4-7(6)8(10)5-9/h2-3,5-7,9-10H,4H2,1H3/b3-2+,9-5+,10-8+.
What are the key properties of 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine?
1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-prop-1-enyl]cyclopropyl]ethane-1,2-diimine is sourced from PubChem (CID 163277434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).