(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine

C10H14N2 — CID 134217353

IUPAC(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine
SMILESC=C1CC(C)N=C1/N=C/C=C\C
InChIInChI=1S/C10H14N2/c1-4-5-6-11-10-8(2)7-9(3)12-10/h4-6,9H,2,7H2,1,3H3/b5-4-,11-6+
InChIKeyQRXVEFILDDTTCJ-UMEJXRAUSA-N
MW162.24 g/mol
LogP2.38
Rot. Bonds1

About (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine

(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine (PubChem CID 134217353) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine
PubChem CID134217353
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine
SMILESC=C1CC(C)N=C1/N=C/C=C\C
InChIInChI=1S/C10H14N2/c1-4-5-6-11-10-8(2)7-9(3)12-10/h4-6,9H,2,7H2,1,3H3/b5-4-,11-6+
InChIKeyQRXVEFILDDTTCJ-UMEJXRAUSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine (CID 134217353) is (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine is C=C1CC(C)N=C1/N=C/C=C\C.
What is the InChIKey of (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine?
The InChIKey is QRXVEFILDDTTCJ-UMEJXRAUSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-5-6-11-10-8(2)7-9(3)12-10/h4-6,9H,2,7H2,1,3H3/b5-4-,11-6+.
What are the key properties of (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine?
(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine is sourced from PubChem (CID 134217353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).