(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine

C11H18N2 — CID 163275121

IUPAC(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine
SMILESCC/C(C)=C1/C(C)=CN(C)/C1=N\C
InChIInChI=1S/C11H18N2/c1-6-8(2)10-9(3)7-13(5)11(10)12-4/h7H,6H2,1-5H3/b10-8-,12-11-
InChIKeyKOSNYHQPOPFVRI-SIBMFBDYSA-N
MW178.28 g/mol
LogP2.59
Rot. Bonds1

About (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine

(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine (PubChem CID 163275121) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine
PubChem CID163275121
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine
SMILESCC/C(C)=C1/C(C)=CN(C)/C1=N\C
InChIInChI=1S/C11H18N2/c1-6-8(2)10-9(3)7-13(5)11(10)12-4/h7H,6H2,1-5H3/b10-8-,12-11-
InChIKeyKOSNYHQPOPFVRI-SIBMFBDYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.59
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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Related Compounds

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CID 172418663
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CID 172418773
2-Azapentalene, 1,3-bis(dimethylamino)-5-methyl-
CID 145487
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
(3Z)-N,1,4-trimethyl-3-[(methylideneamino)methylidene]pyrrol-2-imine
CID 130347257
(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
CID 134524702
(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 138667497
(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine
CID 139562238
N,N,4-trimethyl-3,5-diazabicyclo[5.5.0]dodeca-1(12),2,4,7,10-pentaen-2-amine
CID 142230500
(3E)-N,N-dimethyl-4-methylidene-3-prop-2-enylidenepyridin-2-amine
CID 142471394
(3Z)-N,N-diethyl-3-ethylidenepyrrol-2-amine
CID 143758508

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine?
The IUPAC name of (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine (CID 163275121) is (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine.
What is the SMILES notation for (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine?
The canonical SMILES for (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine is CC/C(C)=C1/C(C)=CN(C)/C1=N\C.
What is the InChIKey of (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine?
The InChIKey is KOSNYHQPOPFVRI-SIBMFBDYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-8(2)10-9(3)7-13(5)11(10)12-4/h7H,6H2,1-5H3/b10-8-,12-11-.
What are the key properties of (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine?
(3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butan-2-ylidene-N,1,4-trimethylpyrrol-2-imine is sourced from PubChem (CID 163275121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).