(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol

C9H15NO — CID 166688581

IUPAC(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol
SMILESN[C@H](CO)C1=CC=CCCC1
InChIInChI=1S/C9H15NO/c10-9(7-11)8-5-3-1-2-4-6-8/h1,3,5,9,11H,2,4,6-7,10H2/t9-/m1/s1
InChIKeyNPKDJGYPHQKILR-SECBINFHSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds2

About (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol

(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol (PubChem CID 166688581) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol
PubChem CID166688581
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol
SMILESN[C@H](CO)C1=CC=CCCC1
InChIInChI=1S/C9H15NO/c10-9(7-11)8-5-3-1-2-4-6-8/h1,3,5,9,11H,2,4,6-7,10H2/t9-/m1/s1
InChIKeyNPKDJGYPHQKILR-SECBINFHSA-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 (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol?
The IUPAC name of (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol (CID 166688581) is (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol.
What is the SMILES notation for (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol?
The canonical SMILES for (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol is N[C@H](CO)C1=CC=CCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol?
The InChIKey is NPKDJGYPHQKILR-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c10-9(7-11)8-5-3-1-2-4-6-8/h1,3,5,9,11H,2,4,6-7,10H2/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol?
(2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol 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 (2S)-2-amino-2-cyclohepta-1,3-dien-1-ylethanol is sourced from PubChem (CID 166688581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).