(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid

C17H19NO2 — CID 82305589

IUPAC(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
SMILESCc1[nH]c2ccccc2c1/C(=C/C(=O)O)C1CCCC1
InChIInChI=1S/C17H19NO2/c1-11-17(13-8-4-5-9-15(13)18-11)14(10-16(19)20)12-6-2-3-7-12/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,19,20)/b14-10+
InChIKeyKNOBPRDNASSOAU-GXDHUFHOSA-N
MW269.34 g/mol
LogP4.13
Rot. Bonds3

About (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid

(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid (PubChem CID 82305589) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
PubChem CID82305589
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
SMILESCc1[nH]c2ccccc2c1/C(=C/C(=O)O)C1CCCC1
InChIInChI=1S/C17H19NO2/c1-11-17(13-8-4-5-9-15(13)18-11)14(10-16(19)20)12-6-2-3-7-12/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,19,20)/b14-10+
InChIKeyKNOBPRDNASSOAU-GXDHUFHOSA-N
XLogP4.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 82299218
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
(Z)-5,5-dimethyl-3-(2-methyl-1H-indol-3-yl)hex-2-enoic acid
CID 82306158
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 8019458
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406
(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 104518020

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid (CID 82305589) is (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid is Cc1[nH]c2ccccc2c1/C(=C/C(=O)O)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is KNOBPRDNASSOAU-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-17(13-8-4-5-9-15(13)18-11)14(10-16(19)20)12-6-2-3-7-12/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,19,20)/b14-10+.
What are the key properties of (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid?
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82305589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).