1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile

C9H10N2 — CID 11252087

IUPAC1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile
SMILESCC(C)=CC1(C#N)CC1C#N
InChIInChI=1S/C9H10N2/c1-7(2)3-9(6-11)4-8(9)5-10/h3,8H,4H2,1-2H3
InChIKeyPAPFVBCMQARCCM-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.01
Rot. Bonds1

About 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile

1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile (PubChem CID 11252087) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile
PubChem CID11252087
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile
SMILESCC(C)=CC1(C#N)CC1C#N
InChIInChI=1S/C9H10N2/c1-7(2)3-9(6-11)4-8(9)5-10/h3,8H,4H2,1-2H3
InChIKeyPAPFVBCMQARCCM-UHFFFAOYSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.01
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-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile?
The IUPAC name of 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile (CID 11252087) is 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile.
What is the SMILES notation for 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile?
The canonical SMILES for 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile is CC(C)=CC1(C#N)CC1C#N.
What is the InChIKey of 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile?
The InChIKey is PAPFVBCMQARCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7(2)3-9(6-11)4-8(9)5-10/h3,8H,4H2,1-2H3.
What are the key properties of 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile?
1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile has a molecular weight of 146.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)cyclopropane-1,2-dicarbonitrile is sourced from PubChem (CID 11252087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).