(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol

C12H15NO — CID 5326783

IUPAC(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h2-3,5,8,12-14H,1,4,6-7H2/t12-/m1/s1
InChIKeyMBAPWSGQAAWASN-GFCCVEGCSA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds3

About (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol

(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 5326783) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID5326783
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h2-3,5,8,12-14H,1,4,6-7H2/t12-/m1/s1
InChIKeyMBAPWSGQAAWASN-GFCCVEGCSA-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 (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol (CID 5326783) is (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol is C=CCN[C@@H]1CCc2ccc(O)cc21.
What is the InChIKey of (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MBAPWSGQAAWASN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h2-3,5,8,12-14H,1,4,6-7H2/t12-/m1/s1.
What are the key properties of (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol?
(3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-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 (3R)-3-(prop-2-enylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 5326783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).