(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine

C10H16N2 — CID 139562238

IUPAC(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine
SMILESC/C=C1/C=CN(C)/C1=N\C(C)C
InChIInChI=1S/C10H16N2/c1-5-9-6-7-12(4)10(9)11-8(2)3/h5-8H,1-4H3/b9-5-,11-10-
InChIKeyXLMRBNDHYZNIFE-XSDWEOAISA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds1

About (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine

(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine (PubChem CID 139562238) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine
PubChem CID139562238
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine
SMILESC/C=C1/C=CN(C)/C1=N\C(C)C
InChIInChI=1S/C10H16N2/c1-5-9-6-7-12(4)10(9)11-8(2)3/h5-8H,1-4H3/b9-5-,11-10-
InChIKeyXLMRBNDHYZNIFE-XSDWEOAISA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine?
The IUPAC name of (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine (CID 139562238) is (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine is C/C=C1/C=CN(C)/C1=N\C(C)C.
What is the InChIKey of (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine?
The InChIKey is XLMRBNDHYZNIFE-XSDWEOAISA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-6-7-12(4)10(9)11-8(2)3/h5-8H,1-4H3/b9-5-,11-10-.
What are the key properties of (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine?
(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine is sourced from PubChem (CID 139562238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).