(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol

C13H17NO — CID 6102778

IUPAC(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN(C)[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H17NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13,15H,1,5,7-8H2,2H3/t13-/m1/s1
InChIKeyPTANLUZQWDAQNK-CYBMUJFWSA-N
MW203.28 g/mol
LogP2.50
Rot. Bonds3

About (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol

(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 6102778) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID6102778
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC=CCN(C)[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H17NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13,15H,1,5,7-8H2,2H3/t13-/m1/s1
InChIKeyPTANLUZQWDAQNK-CYBMUJFWSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.50
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 (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 6102778) is (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol is C=CCN(C)[C@@H]1CCc2ccc(O)cc21.
What is the InChIKey of (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is PTANLUZQWDAQNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13,15H,1,5,7-8H2,2H3/t13-/m1/s1.
What are the key properties of (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol?
(3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 203.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl(prop-2-enyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 6102778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).