3-propanimidoylcyclopropene-1-carbonitrile

C7H8N2 — CID 121480677

IUPAC3-propanimidoylcyclopropene-1-carbonitrile
SMILES[H]/N=C(\CC)C1C=C1C#N
InChIInChI=1S/C7H8N2/c1-2-7(9)6-3-5(6)4-8/h3,6,9H,2H2,1H3/b9-7+
InChIKeyMWMIOLGGAVEQDY-VQHVLOKHSA-N
MW120.15 g/mol
LogP1.50
Rot. Bonds2

About 3-propanimidoylcyclopropene-1-carbonitrile

3-propanimidoylcyclopropene-1-carbonitrile (PubChem CID 121480677) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-propanimidoylcyclopropene-1-carbonitrile.

Molecular Properties

Compound Name3-propanimidoylcyclopropene-1-carbonitrile
PubChem CID121480677
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-propanimidoylcyclopropene-1-carbonitrile
SMILES[H]/N=C(\CC)C1C=C1C#N
InChIInChI=1S/C7H8N2/c1-2-7(9)6-3-5(6)4-8/h3,6,9H,2H2,1H3/b9-7+
InChIKeyMWMIOLGGAVEQDY-VQHVLOKHSA-N
XLogP1.50
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propanimidoylcyclopropene-1-carbonitrile?
The IUPAC name of 3-propanimidoylcyclopropene-1-carbonitrile (CID 121480677) is 3-propanimidoylcyclopropene-1-carbonitrile.
What is the SMILES notation for 3-propanimidoylcyclopropene-1-carbonitrile?
The canonical SMILES for 3-propanimidoylcyclopropene-1-carbonitrile is [H]/N=C(\CC)C1C=C1C#N.
What is the InChIKey of 3-propanimidoylcyclopropene-1-carbonitrile?
The InChIKey is MWMIOLGGAVEQDY-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-7(9)6-3-5(6)4-8/h3,6,9H,2H2,1H3/b9-7+.
What are the key properties of 3-propanimidoylcyclopropene-1-carbonitrile?
3-propanimidoylcyclopropene-1-carbonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanimidoylcyclopropene-1-carbonitrile is sourced from PubChem (CID 121480677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).