(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal

C12H12OS — CID 135006936

IUPAC(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal
SMILESO=CC[C@H](C1=CCC=C1)c1cccs1
InChIInChI=1S/C12H12OS/c13-8-7-11(10-4-1-2-5-10)12-6-3-9-14-12/h1,3-6,8-9,11H,2,7H2/t11-/m1/s1
InChIKeyJAQOWLWDOQVZSS-LLVKDONJSA-N
MW204.29 g/mol
LogP3.31
Rot. Bonds4

About (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal

(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal (PubChem CID 135006936) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal.

Molecular Properties

Compound Name(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal
PubChem CID135006936
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal
SMILESO=CC[C@H](C1=CCC=C1)c1cccs1
InChIInChI=1S/C12H12OS/c13-8-7-11(10-4-1-2-5-10)12-6-3-9-14-12/h1,3-6,8-9,11H,2,7H2/t11-/m1/s1
InChIKeyJAQOWLWDOQVZSS-LLVKDONJSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-2-ylpentanal
CID 83827070
(3S)-4-amino-3-thiophen-2-ylbutanal
CID 143655944
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
CID 87694662
(3S)-3-di(propan-2-yloxy)phosphoryl-3-thiophen-2-ylpropanal
CID 23659888
dibenzyl 2-[(1R)-3-oxo-1-thiophen-2-ylpropyl]propanedioate
CID 102255036
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
N-methyl-N-(1-thiophen-2-ylethyl)formamide
CID 64990731
S-(2,2-dithiophen-2-ylacetyl)sulfanyl 2,2-dithiophen-2-ylethanethioate
CID 141308355
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-oxo-2-thiophen-2-ylbutanamide
CID 59626605
(2R)-3-cyclopropyl-2-thiophen-2-ylpropan-1-amine
CID 124676129
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal?
The IUPAC name of (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal (CID 135006936) is (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal.
What is the SMILES notation for (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal?
The canonical SMILES for (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal is O=CC[C@H](C1=CCC=C1)c1cccs1.
What is the InChIKey of (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal?
The InChIKey is JAQOWLWDOQVZSS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12OS/c13-8-7-11(10-4-1-2-5-10)12-6-3-9-14-12/h1,3-6,8-9,11H,2,7H2/t11-/m1/s1.
What are the key properties of (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal?
(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal has a molecular weight of 204.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal is sourced from PubChem (CID 135006936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).