1,3-bis(prop-2-enyl)pyrrolidin-2-imine

C10H16N2 — CID 69010158

IUPAC1,3-bis(prop-2-enyl)pyrrolidin-2-imine
SMILES[H]/N=C1/C(CC=C)CCN1CC=C
InChIInChI=1S/C10H16N2/c1-3-5-9-6-8-12(7-4-2)10(9)11/h3-4,9,11H,1-2,5-8H2/b11-10-
InChIKeyIFNQDMFIRALYMD-KHPPLWFESA-N
MW164.25 g/mol
LogP2.05
Rot. Bonds4

About 1,3-bis(prop-2-enyl)pyrrolidin-2-imine

1,3-bis(prop-2-enyl)pyrrolidin-2-imine (PubChem CID 69010158) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)pyrrolidin-2-imine
PubChem CID69010158
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,3-bis(prop-2-enyl)pyrrolidin-2-imine
SMILES[H]/N=C1/C(CC=C)CCN1CC=C
InChIInChI=1S/C10H16N2/c1-3-5-9-6-8-12(7-4-2)10(9)11/h3-4,9,11H,1-2,5-8H2/b11-10-
InChIKeyIFNQDMFIRALYMD-KHPPLWFESA-N
XLogP2.05
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-bis(prop-2-enyl)pyrrolidin-2-imine?
The IUPAC name of 1,3-bis(prop-2-enyl)pyrrolidin-2-imine (CID 69010158) is 1,3-bis(prop-2-enyl)pyrrolidin-2-imine.
What is the SMILES notation for 1,3-bis(prop-2-enyl)pyrrolidin-2-imine?
The canonical SMILES for 1,3-bis(prop-2-enyl)pyrrolidin-2-imine is [H]/N=C1/C(CC=C)CCN1CC=C.
What is the InChIKey of 1,3-bis(prop-2-enyl)pyrrolidin-2-imine?
The InChIKey is IFNQDMFIRALYMD-KHPPLWFESA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-9-6-8-12(7-4-2)10(9)11/h3-4,9,11H,1-2,5-8H2/b11-10-.
What are the key properties of 1,3-bis(prop-2-enyl)pyrrolidin-2-imine?
1,3-bis(prop-2-enyl)pyrrolidin-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)pyrrolidin-2-imine is sourced from PubChem (CID 69010158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).