(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole

C12H17N — CID 167284347

IUPAC(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\c1[nH]c(=C/C)/c(=C\C)c1C
InChIInChI=1S/C12H17N/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8,13H,1-4H3/b8-5-,10-6-,11-7+
InChIKeyDYIQPPCCLMTDCC-OHCOKWNNSA-N
MW175.27 g/mol
LogP1.96
Rot. Bonds1

About (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole

(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole (PubChem CID 167284347) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
PubChem CID167284347
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\c1[nH]c(=C/C)/c(=C\C)c1C
InChIInChI=1S/C12H17N/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8,13H,1-4H3/b8-5-,10-6-,11-7+
InChIKeyDYIQPPCCLMTDCC-OHCOKWNNSA-N
XLogP1.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 174151451
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 176958582
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
(2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole
CID 134534060
ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
CID 142460419
3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
CID 167147131
2,3,4-trimethyl-5-penta-1,3-dienyl-1H-pyrrole
CID 151837889
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
3-methyl-2-[(Z)-prop-1-enyl]-1H-[1]benzofuro[2,3-g]indole
CID 167453493
(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole
CID 162362030
3-methyl-2-prop-1-enyl-1H-pyrrole
CID 123712254

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole (CID 167284347) is (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole is C/C=C\c1[nH]c(=C/C)/c(=C\C)c1C.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole?
The InChIKey is DYIQPPCCLMTDCC-OHCOKWNNSA-N. The full InChI is InChI=1S/C12H17N/c1-5-8-12-9(4)10(6-2)11(7-3)13-12/h5-8,13H,1-4H3/b8-5-,10-6-,11-7+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole?
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole has a molecular weight of 175.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole is sourced from PubChem (CID 167284347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).