(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine

C8H13N2- — CID 177387866

IUPAC(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine
SMILESC/N=C(C)/C=C1\CCC[N-]1
InChIInChI=1S/C8H13N2/c1-7(9-2)6-8-4-3-5-10-8/h6H,3-5H2,1-2H3/q-1/b8-6+,9-7+
InChIKeyNHMMBWXMLSNPRC-CDJQDVQCSA-N
MW137.21 g/mol
LogP2.13
Rot. Bonds1

About (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine

(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine (PubChem CID 177387866) has the molecular formula C8H13N2- and a molecular weight of 137.21 g/mol. Its IUPAC name is (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine.

Molecular Properties

Compound Name(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine
PubChem CID177387866
Molecular FormulaC8H13N2-
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine
SMILESC/N=C(C)/C=C1\CCC[N-]1
InChIInChI=1S/C8H13N2/c1-7(9-2)6-8-4-3-5-10-8/h6H,3-5H2,1-2H3/q-1/b8-6+,9-7+
InChIKeyNHMMBWXMLSNPRC-CDJQDVQCSA-N
XLogP2.13
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
CID 54603244
(2E)-N-methyl-2-propylidenepyrrolidin-3-imine
CID 176938440
1-(4-Pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl)pyrrolidine
CID 423785
1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine
CID 5475676
1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
CID 20832430
1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine
CID 20832431
CID 140676845
CID 140676845
(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine
CID 143843750
(Z,Z)-N-[(E)-1-pyrrolidin-1-ylpent-1-enyl]pent-3-en-2-imine
CID 169170233
(2E)-2-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)pyrrolidin-1-ide
CID 177575634
(1E)-1-pyrrolidin-1-id-2-ylidenepropan-2-imine
CID 177603379
(1E)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine
CID 177625712

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine?
The IUPAC name of (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine (CID 177387866) is (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine.
What is the SMILES notation for (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine?
The canonical SMILES for (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine is C/N=C(C)/C=C1\CCC[N-]1.
What is the InChIKey of (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine?
The InChIKey is NHMMBWXMLSNPRC-CDJQDVQCSA-N. The full InChI is InChI=1S/C8H13N2/c1-7(9-2)6-8-4-3-5-10-8/h6H,3-5H2,1-2H3/q-1/b8-6+,9-7+.
What are the key properties of (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine?
(1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine has a molecular weight of 137.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine is sourced from PubChem (CID 177387866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).