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

C12H13NO — CID 10236056

IUPAC1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCNC1CCc2c(O)cccc21
InChIInChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2
InChIKeyMQJZMFWAGYASSM-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds2

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

1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 10236056) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID10236056
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCNC1CCc2c(O)cccc21
InChIInChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2
InChIKeyMQJZMFWAGYASSM-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-N-Propargyl-1(R)-Aminoindan
CID 5289289
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 9837092
1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10125137
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10214459
(R)-3-Prop-2-ynylamino-indan-5-ol
CID 23644356
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 23645321
3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10285846
4-Hydroxy-2-(di-n-propylamino)indan
CID 146855
(2R)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol
CID 10353951
(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol
CID 12728242
3-amino-2,3-dihydro-1H-inden-4-ol hydrochloride
CID 13376844
(3S)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 10125120

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (CID 10236056) is 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol is C#CCNC1CCc2c(O)cccc21.
What is the InChIKey of 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MQJZMFWAGYASSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2.
What are the key properties of 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 187.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 10236056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).