2-methyl-1-prop-2-enylaziridine-2-carbonitrile

C7H10N2 — CID 45087128

IUPAC2-methyl-1-prop-2-enylaziridine-2-carbonitrile
SMILESC=CCN1CC1(C)C#N
InChIInChI=1S/C7H10N2/c1-3-4-9-6-7(9,2)5-8/h3H,1,4,6H2,2H3
InChIKeyJKKQFHBNGNMRRH-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.77
Rot. Bonds2

About 2-methyl-1-prop-2-enylaziridine-2-carbonitrile

2-methyl-1-prop-2-enylaziridine-2-carbonitrile (PubChem CID 45087128) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylaziridine-2-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylaziridine-2-carbonitrile
PubChem CID45087128
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-methyl-1-prop-2-enylaziridine-2-carbonitrile
SMILESC=CCN1CC1(C)C#N
InChIInChI=1S/C7H10N2/c1-3-4-9-6-7(9,2)5-8/h3H,1,4,6H2,2H3
InChIKeyJKKQFHBNGNMRRH-UHFFFAOYSA-N
XLogP0.77
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aziridinecarbonitrile, 1-(2-propenyl)-
CID 11274981
1-[(E)-but-2-enyl]aziridine-2-carbonitrile
CID 20483554
3-Methyl-1-(prop-2-en-1-yl)aziridine-2-carbonitrile
CID 20483628
2-Aziridinecarbonitrile, 1-(2-methyl-2-propenyl)-
CID 20483630
1-(But-2-en-1-yl)aziridine-2-carbonitrile
CID 53798892
2,3-Dimethyl-1-prop-2-enylaziridine-2-carbonitrile
CID 13200895
1-[Methyl(prop-2-en-1-yl)amino]cyclopropane-1-carbonitrile
CID 164649624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylaziridine-2-carbonitrile?
The IUPAC name of 2-methyl-1-prop-2-enylaziridine-2-carbonitrile (CID 45087128) is 2-methyl-1-prop-2-enylaziridine-2-carbonitrile.
What is the SMILES notation for 2-methyl-1-prop-2-enylaziridine-2-carbonitrile?
The canonical SMILES for 2-methyl-1-prop-2-enylaziridine-2-carbonitrile is C=CCN1CC1(C)C#N.
What is the InChIKey of 2-methyl-1-prop-2-enylaziridine-2-carbonitrile?
The InChIKey is JKKQFHBNGNMRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-9-6-7(9,2)5-8/h3H,1,4,6H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enylaziridine-2-carbonitrile?
2-methyl-1-prop-2-enylaziridine-2-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylaziridine-2-carbonitrile is sourced from PubChem (CID 45087128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).