3-amino-1-methylcyclohepta-2,4,6-trien-1-ol

C8H11NO — CID 142803373

IUPAC3-amino-1-methylcyclohepta-2,4,6-trien-1-ol
SMILESCC1(O)C=CC=CC(N)=C1
InChIInChI=1S/C8H11NO/c1-8(10)5-3-2-4-7(9)6-8/h2-6,10H,9H2,1H3
InChIKeyLBXIXWMKEXWHMG-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.71
Rot. Bonds

About 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol

3-amino-1-methylcyclohepta-2,4,6-trien-1-ol (PubChem CID 142803373) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name3-amino-1-methylcyclohepta-2,4,6-trien-1-ol
PubChem CID142803373
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-amino-1-methylcyclohepta-2,4,6-trien-1-ol
SMILESCC1(O)C=CC=CC(N)=C1
InChIInChI=1S/C8H11NO/c1-8(10)5-3-2-4-7(9)6-8/h2-6,10H,9H2,1H3
InChIKeyLBXIXWMKEXWHMG-UHFFFAOYSA-N
XLogP0.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-6-fluoro-1-methylcyclohepta-2,4,6-triene-1,4-diol
CID 145567293
4-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 22034802
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
CID 126500173
5-Amino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 126612422
(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
CID 126747543
(2Z,4Z)-2-aminohepta-2,4-dien-3-ol
CID 129054924
(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
CID 130391051
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
(4Z)-6-amino-3-methylhepta-4,6-dien-3-ol
CID 132043465
(3E,4Z,7Z,9Z)-5-amino-3-ethylidene-8-methyl-6-methylideneundeca-1,4,7,9-tetraen-2-ol
CID 137503908
5-Aminocyclohepta-1,4,6-trien-1-ol
CID 138741221

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol?
The IUPAC name of 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol (CID 142803373) is 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol.
What is the SMILES notation for 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol?
The canonical SMILES for 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol is CC1(O)C=CC=CC(N)=C1.
What is the InChIKey of 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol?
The InChIKey is LBXIXWMKEXWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(10)5-3-2-4-7(9)6-8/h2-6,10H,9H2,1H3.
What are the key properties of 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol?
3-amino-1-methylcyclohepta-2,4,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylcyclohepta-2,4,6-trien-1-ol is sourced from PubChem (CID 142803373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).