(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride

C9H16ClNO — CID 146677614

IUPAC(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
SMILESC[C@@H](N)C[C@@]1(O)C=CC=CC1.[Cl-].[H+]
InChIInChI=1S/C9H15NO.ClH/c1-8(10)7-9(11)5-3-2-4-6-9;/h2-5,8,11H,6-7,10H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyOQJIOAUUPWWRGE-VTLYIQCISA-N
MW189.69 g/mol
LogP-1.91
Rot. Bonds2

About (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride

(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride (PubChem CID 146677614) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride.

Molecular Properties

Compound Name(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
PubChem CID146677614
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
SMILESC[C@@H](N)C[C@@]1(O)C=CC=CC1.[Cl-].[H+]
InChIInChI=1S/C9H15NO.ClH/c1-8(10)7-9(11)5-3-2-4-6-9;/h2-5,8,11H,6-7,10H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyOQJIOAUUPWWRGE-VTLYIQCISA-N
XLogP-1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride?
The IUPAC name of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride (CID 146677614) is (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride.
What is the SMILES notation for (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride?
The canonical SMILES for (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride is C[C@@H](N)C[C@@]1(O)C=CC=CC1.[Cl-].[H+].
What is the InChIKey of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride?
The InChIKey is OQJIOAUUPWWRGE-VTLYIQCISA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-8(10)7-9(11)5-3-2-4-6-9;/h2-5,8,11H,6-7,10H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride?
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride has a molecular weight of 189.69 g/mol, XLogP of -1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride is sourced from PubChem (CID 146677614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).