(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol

C8H13NO — CID 90148979

IUPAC(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
SMILESNC[C@@H]1CC=CC(O)=CC1
InChIInChI=1S/C8H13NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3,5,7,10H,2,4,6,9H2/t7-/m1/s1
InChIKeyGFOYCPUQQGTOSC-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds1

About (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol

(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol (PubChem CID 90148979) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
PubChem CID90148979
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
SMILESNC[C@@H]1CC=CC(O)=CC1
InChIInChI=1S/C8H13NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3,5,7,10H,2,4,6,9H2/t7-/m1/s1
InChIKeyGFOYCPUQQGTOSC-SSDOTTSWSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol?
The IUPAC name of (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol (CID 90148979) is (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol.
What is the SMILES notation for (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol?
The canonical SMILES for (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol is NC[C@@H]1CC=CC(O)=CC1.
What is the InChIKey of (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol?
The InChIKey is GFOYCPUQQGTOSC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-7-2-1-3-8(10)5-4-7/h1,3,5,7,10H,2,4,6,9H2/t7-/m1/s1.
What are the key properties of (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol?
(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol is sourced from PubChem (CID 90148979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).