N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine

C11H18N2 — CID 170322296

IUPACN-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine
SMILESC=N/C=C\C=C1/CCN(C(C)C)C1
InChIInChI=1S/C11H18N2/c1-10(2)13-8-6-11(9-13)5-4-7-12-3/h4-5,7,10H,3,6,8-9H2,1-2H3/b7-4-,11-5+
InChIKeyMBLRJTMPPNALIP-RJOOURJQSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine

N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine (PubChem CID 170322296) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine
PubChem CID170322296
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine
SMILESC=N/C=C\C=C1/CCN(C(C)C)C1
InChIInChI=1S/C11H18N2/c1-10(2)13-8-6-11(9-13)5-4-7-12-3/h4-5,7,10H,3,6,8-9H2,1-2H3/b7-4-,11-5+
InChIKeyMBLRJTMPPNALIP-RJOOURJQSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
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 N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine?
The IUPAC name of N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine (CID 170322296) is N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine is C=N/C=C\C=C1/CCN(C(C)C)C1.
What is the InChIKey of N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine?
The InChIKey is MBLRJTMPPNALIP-RJOOURJQSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(2)13-8-6-11(9-13)5-4-7-12-3/h4-5,7,10H,3,6,8-9H2,1-2H3/b7-4-,11-5+.
What are the key properties of N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine?
N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-(1-propan-2-ylpyrrolidin-3-ylidene)prop-1-enyl]methanimine is sourced from PubChem (CID 170322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).