[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol

C8H13NO — CID 143479730

IUPAC[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
SMILESCNC1=CCCC(CO)=C1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-3-7(5-8)6-10/h4-5,9-10H,2-3,6H2,1H3
InChIKeyOKWGRNVYNRMZGR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds2

About [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol

[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 143479730) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID143479730
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
SMILESCNC1=CCCC(CO)=C1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-3-7(5-8)6-10/h4-5,9-10H,2-3,6H2,1H3
InChIKeyOKWGRNVYNRMZGR-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dimethyl-1,2-dihydropyridin-2-ol
CID 18948482
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
CID 89088346
[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol
CID 91464733
(6-Methyl-1,2-dihydropyridin-4-yl)methanol
CID 117722403
[4-(Methylamino)cyclohexa-1,3-dien-1-yl]methanol
CID 121327599
[2-[(2E,5Z,7E)-7-amino-3-methyl-4-methylidenenona-2,5,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]methanol
CID 134288087
1-[3-(Methylamino)cyclohepta-1,3,5-trien-1-yl]ethenol
CID 139471458
5-Methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
CID 142019306
(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol
CID 142176183
(6-Ethyl-5-methyl-1,2-dihydropyridin-3-yl)methanol
CID 142245264
(3-Aminocyclohexa-1,3-dien-1-yl)methanol
CID 144453436
4-(2-Methylprop-2-enyl)-1,2-dihydropyridin-2-ol
CID 146478570

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol (CID 143479730) is [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol is CNC1=CCCC(CO)=C1.
What is the InChIKey of [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is OKWGRNVYNRMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8-4-2-3-7(5-8)6-10/h4-5,9-10H,2-3,6H2,1H3.
What are the key properties of [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
[3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 143479730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).