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

C9H15NO — CID 6451280

IUPAC(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
SMILESC[C@@H](N)C[C@@]1(O)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyGEXXKSRVDUNDLK-RKDXNWHRSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds2

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

(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol (PubChem CID 6451280) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
PubChem CID6451280
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
SMILESC[C@@H](N)C[C@@]1(O)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyGEXXKSRVDUNDLK-RKDXNWHRSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
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?
The IUPAC name of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol (CID 6451280) is (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol is C[C@@H](N)C[C@@]1(O)C=CC=CC1.
What is the InChIKey of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is GEXXKSRVDUNDLK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol?
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 6451280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).