5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol

C12H15NO — CID 80562646

IUPAC5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C1CC1
InChIInChI=1S/C12H15NO/c13-10-3-4-11-8(7-10)5-6-12(11,14)9-1-2-9/h3-4,7,9,14H,1-2,5-6,13H2
InChIKeyOSFUALDPOQLJNT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.81
Rot. Bonds1

About 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol

5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol (PubChem CID 80562646) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
PubChem CID80562646
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C1CC1
InChIInChI=1S/C12H15NO/c13-10-3-4-11-8(7-10)5-6-12(11,14)9-1-2-9/h3-4,7,9,14H,1-2,5-6,13H2
InChIKeyOSFUALDPOQLJNT-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
CID 80562702
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 58392268
5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
CID 102829346
5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 80562590
5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 80562844
5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
CID 80562937
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
CID 80562688
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,7-diamine
CID 67264025
5-amino-2-[1,4,4-tris(4-amino-2-hydroxyphenyl)cyclohexyl]phenol
CID 153497972

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol (CID 80562646) is 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)C1CC1.
What is the InChIKey of 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol?
The InChIKey is OSFUALDPOQLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-10-3-4-11-8(7-10)5-6-12(11,14)9-1-2-9/h3-4,7,9,14H,1-2,5-6,13H2.
What are the key properties of 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol?
5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol has a molecular weight of 189.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).