(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole

C12H17NO — CID 142144047

IUPAC(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
SMILESC=c1ccn(C)/c1=C/C(OC)=C(C)C
InChIInChI=1S/C12H17NO/c1-9(2)12(14-5)8-11-10(3)6-7-13(11)4/h6-8H,3H2,1-2,4-5H3/b11-8+
InChIKeyGMMXMKGELIXZMQ-DHZHZOJOSA-N
MW191.27 g/mol
LogP1.16
Rot. Bonds2

About (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole

(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole (PubChem CID 142144047) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole.

Molecular Properties

Compound Name(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
PubChem CID142144047
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
SMILESC=c1ccn(C)/c1=C/C(OC)=C(C)C
InChIInChI=1S/C12H17NO/c1-9(2)12(14-5)8-11-10(3)6-7-13(11)4/h6-8H,3H2,1-2,4-5H3/b11-8+
InChIKeyGMMXMKGELIXZMQ-DHZHZOJOSA-N
XLogP1.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 123877489
5-Methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
CID 129083849
(3Z)-3-[(Z)-2,3-dimethoxybut-2-enylidene]-1-iodo-2H-pyrrole
CID 130281333
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
CID 134417055
(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
CID 138465845
(2E,4Z)-N-butan-2-yl-6-methoxy-N-[(5-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 138519234
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole?
The IUPAC name of (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole (CID 142144047) is (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole.
What is the SMILES notation for (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole?
The canonical SMILES for (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole is C=c1ccn(C)/c1=C/C(OC)=C(C)C.
What is the InChIKey of (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole?
The InChIKey is GMMXMKGELIXZMQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(14-5)8-11-10(3)6-7-13(11)4/h6-8H,3H2,1-2,4-5H3/b11-8+.
What are the key properties of (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole?
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole has a molecular weight of 191.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole is sourced from PubChem (CID 142144047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).