1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine

C16H21NO — CID 176832104

IUPAC1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
SMILESCOc1ccc2c(c1)/C(=C/CN1CCCC1)CC2
InChIInChI=1S/C16H21NO/c1-18-15-7-6-13-4-5-14(16(13)12-15)8-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11H2,1H3/b14-8+
InChIKeyMQWIKACKEUEQLC-RIYZIHGNSA-N
MW243.35 g/mol
LogP3.12
Rot. Bonds3

About 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine

1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine (PubChem CID 176832104) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
PubChem CID176832104
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
SMILESCOc1ccc2c(c1)/C(=C/CN1CCCC1)CC2
InChIInChI=1S/C16H21NO/c1-18-15-7-6-13-4-5-14(16(13)12-15)8-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11H2,1H3/b14-8+
InChIKeyMQWIKACKEUEQLC-RIYZIHGNSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethanamine
CID 54094556
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 22904998
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
CID 176832118
ethane;1-ethynyl-7-methoxy-N-methyl-3,4-dihydronaphthalen-2-amine
CID 143217656
4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene
CID 123998118
3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
CID 91068807
2-(furan-2-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 67619456
8-methoxy-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydrobenzo[g]indazole
CID 24784564
2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine?
The IUPAC name of 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine (CID 176832104) is 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine.
What is the SMILES notation for 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine?
The canonical SMILES for 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine is COc1ccc2c(c1)/C(=C/CN1CCCC1)CC2.
What is the InChIKey of 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine?
The InChIKey is MQWIKACKEUEQLC-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-15-7-6-13-4-5-14(16(13)12-15)8-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11H2,1H3/b14-8+.
What are the key properties of 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine?
1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine has a molecular weight of 243.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine is sourced from PubChem (CID 176832104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).