2-amino-4-methylcyclohepta-1,3,5-trien-1-ol

C8H11NO — CID 142028947

IUPAC2-amino-4-methylcyclohepta-1,3,5-trien-1-ol
SMILESCC1=CC(N)=C(O)CC=C1
InChIInChI=1S/C8H11NO/c1-6-3-2-4-8(10)7(9)5-6/h2-3,5,10H,4,9H2,1H3
InChIKeyJZGDMPJGGRFCFZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds

About 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol

2-amino-4-methylcyclohepta-1,3,5-trien-1-ol (PubChem CID 142028947) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name2-amino-4-methylcyclohepta-1,3,5-trien-1-ol
PubChem CID142028947
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-amino-4-methylcyclohepta-1,3,5-trien-1-ol
SMILESCC1=CC(N)=C(O)CC=C1
InChIInChI=1S/C8H11NO/c1-6-3-2-4-8(10)7(9)5-6/h2-3,5,10H,4,9H2,1H3
InChIKeyJZGDMPJGGRFCFZ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
CID 126762505
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(3E,5E,8E,9Z)-11-amino-8-ethylidene-6-methyl-7-methylidenedodeca-3,5,9,11-tetraen-3-ol
CID 132047364
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572
5-Aminocyclohepta-1,3,5-trien-1-ol
CID 142889473
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
CID 143051944
(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
CID 144639004

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol (CID 142028947) is 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol is CC1=CC(N)=C(O)CC=C1.
What is the InChIKey of 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol?
The InChIKey is JZGDMPJGGRFCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-2-4-8(10)7(9)5-6/h2-3,5,10H,4,9H2,1H3.
What are the key properties of 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol?
2-amino-4-methylcyclohepta-1,3,5-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylcyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 142028947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).