(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

C11H10O3 — CID 68501974

IUPAC(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H]2Cc3cc(O)ccc3[C@@H]21
InChIInChI=1S/C11H10O3/c12-6-1-2-7-5(3-6)4-8-9(7)10(8)11(13)14/h1-3,8-10,12H,4H2,(H,13,14)/t8-,9+,10+/m1/s1
InChIKeyPKMAKNSBVGFHKC-UTLUCORTSA-N
MW190.20 g/mol
LogP1.36
Rot. Bonds1

About (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (PubChem CID 68501974) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
PubChem CID68501974
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H]2Cc3cc(O)ccc3[C@@H]21
InChIInChI=1S/C11H10O3/c12-6-1-2-7-5(3-6)4-8-9(7)10(8)11(13)14/h1-3,8-10,12H,4H2,(H,13,14)/t8-,9+,10+/m1/s1
InChIKeyPKMAKNSBVGFHKC-UTLUCORTSA-N
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The IUPAC name of (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (CID 68501974) is (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.
What is the SMILES notation for (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The canonical SMILES for (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is O=C(O)[C@H]1[C@@H]2Cc3cc(O)ccc3[C@@H]21.
What is the InChIKey of (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
The InChIKey is PKMAKNSBVGFHKC-UTLUCORTSA-N. The full InChI is InChI=1S/C11H10O3/c12-6-1-2-7-5(3-6)4-8-9(7)10(8)11(13)14/h1-3,8-10,12H,4H2,(H,13,14)/t8-,9+,10+/m1/s1.
What are the key properties of (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?
(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is sourced from PubChem (CID 68501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).