4-(methylamino)cyclohepta-1,3,5-trien-1-ol

C8H11NO — CID 143531361

IUPAC4-(methylamino)cyclohepta-1,3,5-trien-1-ol
SMILESCNC1=CC=C(O)CC=C1
InChIInChI=1S/C8H11NO/c1-9-7-3-2-4-8(10)6-5-7/h2-3,5-6,9-10H,4H2,1H3
InChIKeyKQCGEKWLNKFFIR-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.49
Rot. Bonds1

About 4-(methylamino)cyclohepta-1,3,5-trien-1-ol

4-(methylamino)cyclohepta-1,3,5-trien-1-ol (PubChem CID 143531361) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-(methylamino)cyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name4-(methylamino)cyclohepta-1,3,5-trien-1-ol
PubChem CID143531361
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-(methylamino)cyclohepta-1,3,5-trien-1-ol
SMILESCNC1=CC=C(O)CC=C1
InChIInChI=1S/C8H11NO/c1-9-7-3-2-4-8(10)6-5-7/h2-3,5-6,9-10H,4H2,1H3
InChIKeyKQCGEKWLNKFFIR-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
CID 129308737
5-Aminocyclohepta-1,3,5-trien-1-ol
CID 142889473
(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-ol
CID 142999523
N-ethyl-4-methoxycyclohepta-1,3,6-trien-1-amine
CID 143108121
(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
CID 143284640
(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol
CID 143501008
[(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-yl]oxidanium
CID 145341600
3-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 146807450
2-(Propylamino)cyclopenta-1,3-dien-1-ol
CID 152603763
(2E,4E)-5-(methylamino)hepta-2,4-dien-2-ol
CID 154534037
4-Aminocyclohepta-1,3,5-trien-1-ol
CID 155442001
6-hydroxy-N,5-dimethylcyclohepta-1,3,6-trien-1-amine oxide
CID 163597942

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 4-(methylamino)cyclohepta-1,3,5-trien-1-ol (CID 143531361) is 4-(methylamino)cyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 4-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 4-(methylamino)cyclohepta-1,3,5-trien-1-ol is CNC1=CC=C(O)CC=C1.
What is the InChIKey of 4-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The InChIKey is KQCGEKWLNKFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-7-3-2-4-8(10)6-5-7/h2-3,5-6,9-10H,4H2,1H3.
What are the key properties of 4-(methylamino)cyclohepta-1,3,5-trien-1-ol?
4-(methylamino)cyclohepta-1,3,5-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)cyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 143531361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).