(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen

C8H14N2 — CID 142336110

IUPAC(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen
SMILESC/C=C1/C=CN/C1=N\CC.[H][H]
InChIInChI=1S/C8H12N2.H2/c1-3-7-5-6-10-8(7)9-4-2;/h3,5-6H,4H2,1-2H3,(H,9,10);1H/b7-3-;
InChIKeyUPHNQZOMZKYSCQ-WYLUAFJRSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds1

About (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen

(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen (PubChem CID 142336110) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen
PubChem CID142336110
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen
SMILESC/C=C1/C=CN/C1=N\CC.[H][H]
InChIInChI=1S/C8H12N2.H2/c1-3-7-5-6-10-8(7)9-4-2;/h3,5-6H,4H2,1-2H3,(H,9,10);1H/b7-3-;
InChIKeyUPHNQZOMZKYSCQ-WYLUAFJRSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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

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CID 173891209
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
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(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
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(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
CID 90151974
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
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CID 123143968

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen?
The IUPAC name of (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen (CID 142336110) is (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen.
What is the SMILES notation for (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen?
The canonical SMILES for (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen is C/C=C1/C=CN/C1=N\CC.[H][H].
What is the InChIKey of (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen?
The InChIKey is UPHNQZOMZKYSCQ-WYLUAFJRSA-N. The full InChI is InChI=1S/C8H12N2.H2/c1-3-7-5-6-10-8(7)9-4-2;/h3,5-6H,4H2,1-2H3,(H,9,10);1H/b7-3-;.
What are the key properties of (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen?
(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen has a molecular weight of 138.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen is sourced from PubChem (CID 142336110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).