2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

C12H12O2 — CID 57251163

IUPAC2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12O2/c1-8(12(13)14)10-6-5-9-3-2-4-11(9)7-10/h5-7H,1-4H2,(H,13,14)
InChIKeyHLEBPARSLSSEAK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.27
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid (PubChem CID 57251163) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
PubChem CID57251163
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12O2/c1-8(12(13)14)10-6-5-9-3-2-4-11(9)7-10/h5-7H,1-4H2,(H,13,14)
InChIKeyHLEBPARSLSSEAK-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
CID 6199583
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 124705794
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-[(E)-3-(2,3-dihydro-1H-inden-5-yl)-3-oxoprop-1-enyl]benzoic acid
CID 8832153
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid (CID 57251163) is 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid is C=C(C(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The InChIKey is HLEBPARSLSSEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(12(13)14)10-6-5-9-3-2-4-11(9)7-10/h5-7H,1-4H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid is sourced from PubChem (CID 57251163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).