(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole

C16H19NO — CID 57337186

IUPAC(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole
SMILESCOc1ccc2c(c1)CC(C)(C)/C2=C1\C=NCC1
InChIInChI=1S/C16H19NO/c1-16(2)9-12-8-13(18-3)4-5-14(12)15(16)11-6-7-17-10-11/h4-5,8,10H,6-7,9H2,1-3H3/b15-11-
InChIKeyQPWJTDJOZNFTEC-PTNGSMBKSA-N
MW241.33 g/mol
LogP3.51
Rot. Bonds1

About (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole

(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole (PubChem CID 57337186) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole
PubChem CID57337186
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole
SMILESCOc1ccc2c(c1)CC(C)(C)/C2=C1\C=NCC1
InChIInChI=1S/C16H19NO/c1-16(2)9-12-8-13(18-3)4-5-14(12)15(16)11-6-7-17-10-11/h4-5,8,10H,6-7,9H2,1-3H3/b15-11-
InChIKeyQPWJTDJOZNFTEC-PTNGSMBKSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3Z)-3-(2,3-dihydropyrrol-4-ylidene)-6-methoxy-2-[(2,2,2-trifluoroacetyl)amino]-1H-indene-2-carboxylate
CID 57337089
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
CID 175802586
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
6-methoxy-3,3-dimethyl-4H-isoquinoline
CID 15337117
(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 124560116
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
CID 16754305
6-methoxy-1H-isoindole
CID 159740067
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
9a-butyl-2-methoxy-5-methyl-7,8,9,10-tetrahydrobenzo[a]azulen-6-one
CID 12045776
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole?
The IUPAC name of (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole (CID 57337186) is (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole.
What is the SMILES notation for (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole?
The canonical SMILES for (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole is COc1ccc2c(c1)CC(C)(C)/C2=C1\C=NCC1.
What is the InChIKey of (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole?
The InChIKey is QPWJTDJOZNFTEC-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2)9-12-8-13(18-3)4-5-14(12)15(16)11-6-7-17-10-11/h4-5,8,10H,6-7,9H2,1-3H3/b15-11-.
What are the key properties of (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole?
(4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole has a molecular weight of 241.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(5-methoxy-2,2-dimethyl-3H-inden-1-ylidene)-2,3-dihydropyrrole is sourced from PubChem (CID 57337186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).