1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile

C11H17N3 — CID 62976028

IUPAC1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile
SMILESC=CCNC1(C#N)CCN(C2CC2)C1
InChIInChI=1S/C11H17N3/c1-2-6-13-11(8-12)5-7-14(9-11)10-3-4-10/h2,10,13H,1,3-7,9H2
InChIKeyFNVDHSYZHHIZDI-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.89
Rot. Bonds4

About 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile

1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile (PubChem CID 62976028) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile
PubChem CID62976028
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile
SMILESC=CCNC1(C#N)CCN(C2CC2)C1
InChIInChI=1S/C11H17N3/c1-2-6-13-11(8-12)5-7-14(9-11)10-3-4-10/h2,10,13H,1,3-7,9H2
InChIKeyFNVDHSYZHHIZDI-UHFFFAOYSA-N
XLogP0.89
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile (CID 62976028) is 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile is C=CCNC1(C#N)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile?
The InChIKey is FNVDHSYZHHIZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-6-13-11(8-12)5-7-14(9-11)10-3-4-10/h2,10,13H,1,3-7,9H2.
What are the key properties of 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile?
1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 62976028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).