(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol

C12H15NO — CID 6102780

IUPAC(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC=CCN[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C12H15NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,11,13-14H,1,6-8H2/t11-/m1/s1
InChIKeyWSQBLRZPVQNDNT-LLVKDONJSA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds3

About (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol

(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 6102780) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID6102780
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC=CCN[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C12H15NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,11,13-14H,1,6-8H2/t11-/m1/s1
InChIKeyWSQBLRZPVQNDNT-LLVKDONJSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
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)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol (CID 6102780) is (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol is C=CCN[C@@H]1CCc2c(O)cccc21.
What is the InChIKey of (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WSQBLRZPVQNDNT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,11,13-14H,1,6-8H2/t11-/m1/s1.
What are the key properties of (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol?
(1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 189.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(prop-2-enylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 6102780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).