(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine

C12H15NO — CID 130681687

IUPAC(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
SMILESC=CCOc1cccc2c1[C@H](N)CC2
InChIInChI=1S/C12H15NO/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h2-5,10H,1,6-8,13H2/t10-/m1/s1
InChIKeySGGFQAIXEAZBLA-SNVBAGLBSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds3

About (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine

(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 130681687) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID130681687
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
SMILESC=CCOc1cccc2c1[C@H](N)CC2
InChIInChI=1S/C12H15NO/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h2-5,10H,1,6-8,13H2/t10-/m1/s1
InChIKeySGGFQAIXEAZBLA-SNVBAGLBSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine (CID 130681687) is (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine is C=CCOc1cccc2c1[C@H](N)CC2.
What is the InChIKey of (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SGGFQAIXEAZBLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-8-14-11-5-3-4-9-6-7-10(13)12(9)11/h2-5,10H,1,6-8,13H2/t10-/m1/s1.
What are the key properties of (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine?
(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130681687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).