(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine

C9H14N2 — CID 137291304

IUPAC(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=C(C)N/C1=N\C
InChIInChI=1S/C9H14N2/c1-4-5-8-6-7(2)11-9(8)10-3/h5-6H,4H2,1-3H3,(H,10,11)/b8-5-
InChIKeyITMZXCSPANYWKJ-YVMONPNESA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine

(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine (PubChem CID 137291304) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
PubChem CID137291304
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=C(C)N/C1=N\C
InChIInChI=1S/C9H14N2/c1-4-5-8-6-7(2)11-9(8)10-3/h5-6H,4H2,1-3H3,(H,10,11)/b8-5-
InChIKeyITMZXCSPANYWKJ-YVMONPNESA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
CID 89199717
N-(2-fluoropropan-2-yl)-2-methyl-6-methylidene-1,5-dihydropyrrolo[2,3-b]pyridin-3-amine
CID 137305119
5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
(3Z)-N-fluoro-4,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 173810720
(4E,5E)-5-butylidene-4-(2-fluoroethylidene)-2-[(2E,4E)-5-methylhepta-2,4-dien-2-yl]-1H-imidazole
CID 144356739
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640
CID 91275202
CID 91275202
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine?
The IUPAC name of (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine (CID 137291304) is (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine.
What is the SMILES notation for (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine?
The canonical SMILES for (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine is CC/C=C1/C=C(C)N/C1=N\C.
What is the InChIKey of (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine?
The InChIKey is ITMZXCSPANYWKJ-YVMONPNESA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-8-6-7(2)11-9(8)10-3/h5-6H,4H2,1-3H3,(H,10,11)/b8-5-.
What are the key properties of (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine?
(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 137291304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).