ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine

C11H20N2 — CID 143154277

IUPACethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
SMILESC=C1CN(C)C/C1=N\C=C/C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-10-9-7-11(3)6-8(9)2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-,10-9+;
InChIKeyXIVVDHLXOKFNOE-UNRDHJOCSA-N
MW180.29 g/mol
LogP2.49
Rot. Bonds1

About ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine

ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine (PubChem CID 143154277) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine.

Molecular Properties

Compound Nameethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
PubChem CID143154277
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
SMILESC=C1CN(C)C/C1=N\C=C/C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-10-9-7-11(3)6-8(9)2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-,10-9+;
InChIKeyXIVVDHLXOKFNOE-UNRDHJOCSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-prop-1-enyl]-1-pyrrolidin-1-ylpropan-2-imine
CID 89298343
(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
CID 90253958
3-Methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene
CID 123370633
(4Z)-1-tert-butyl-N-ethenyl-4-ethylidenepyrrolidin-3-imine
CID 132163049
(4Z)-N-ethenyl-4-ethylidene-1-methylpyrrolidin-3-imine
CID 132163051
N-[(1E)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]buta-1,3-dienyl]propan-2-imine
CID 135162573
(Z)-2-[[(4Z)-4-ethylidene-1-propan-2-ylpyrrolidin-3-ylidene]amino]ethenamine
CID 135213426
1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154278
9-Methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene
CID 144707980
3-[(5Z)-hepta-2,5-dien-2-yl]-1-methyl-2,7-dihydro-1,4-diazepine
CID 155471393
N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide
CID 167180487
N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
CID 167180522

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine?
The IUPAC name of ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine (CID 143154277) is ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine.
What is the SMILES notation for ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine?
The canonical SMILES for ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine is C=C1CN(C)C/C1=N\C=C/C.CC.
What is the InChIKey of ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine?
The InChIKey is XIVVDHLXOKFNOE-UNRDHJOCSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-5-10-9-7-11(3)6-8(9)2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-,10-9+;.
What are the key properties of ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine?
ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine is sourced from PubChem (CID 143154277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).