[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium

C9H13N2+ — CID 143301220

IUPAC[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\C=C1/CC=CN1
InChIInChI=1S/C9H13N2/c1-11(2)8-4-6-9-5-3-7-10-9/h3-4,6-8,10H,1,5H2,2H3/q+1/b8-4-,9-6+
InChIKeyDHYARRXFYSHWNS-NDFHIPMUSA-N
MW149.22 g/mol
LogP1.23
Rot. Bonds2

About [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium

[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium (PubChem CID 143301220) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium
PubChem CID143301220
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\C=C1/CC=CN1
InChIInChI=1S/C9H13N2/c1-11(2)8-4-6-9-5-3-7-10-9/h3-4,6-8,10H,1,5H2,2H3/q+1/b8-4-,9-6+
InChIKeyDHYARRXFYSHWNS-NDFHIPMUSA-N
XLogP1.23
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium?
The IUPAC name of [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium (CID 143301220) is [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium.
What is the SMILES notation for [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium?
The canonical SMILES for [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium is C=[N+](C)/C=C\C=C1/CC=CN1.
What is the InChIKey of [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium?
The InChIKey is DHYARRXFYSHWNS-NDFHIPMUSA-N. The full InChI is InChI=1S/C9H13N2/c1-11(2)8-4-6-9-5-3-7-10-9/h3-4,6-8,10H,1,5H2,2H3/q+1/b8-4-,9-6+.
What are the key properties of [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium?
[(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium has a molecular weight of 149.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3E)-3-(1,3-dihydropyrrol-2-ylidene)prop-1-enyl]-methyl-methylideneazanium is sourced from PubChem (CID 143301220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).