2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate

C15H18O2 — CID 174350360

IUPAC2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C15H18O2/c1-3-11(4-2)15(16)17-14-9-12-7-5-6-8-13(12)10-14/h3,5-8,14H,4,9-10H2,1-2H3/b11-3+
InChIKeySWXDIGCNRAMPSE-QDEBKDIKSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate

2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate (PubChem CID 174350360) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
PubChem CID174350360
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C15H18O2/c1-3-11(4-2)15(16)17-14-9-12-7-5-6-8-13(12)10-14/h3,5-8,14H,4,9-10H2,1-2H3/b11-3+
InChIKeySWXDIGCNRAMPSE-QDEBKDIKSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 21259489
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
CID 121308546
2,3-dihydro-1H-inden-2-yloxy(triethyl)silane
CID 139809748
(Z)-but-2-ene;2,3-dihydro-1H-inden-2-yl 4-oxopentanoate;3-methylthietane
CID 143324852
2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
CID 163826036
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
CID 174458357
butane;(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(hexylamino)but-2-enamide;ethane
CID 145477988
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
CID 59310285
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
2-propoxy-2,3-dihydro-1H-indene
CID 12009073

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate (CID 174350360) is 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate is C/C=C(\CC)C(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate?
The InChIKey is SWXDIGCNRAMPSE-QDEBKDIKSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-11(4-2)15(16)17-14-9-12-7-5-6-8-13(12)10-14/h3,5-8,14H,4,9-10H2,1-2H3/b11-3+.
What are the key properties of 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate?
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate is sourced from PubChem (CID 174350360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).