6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol

C9H13NO — CID 67962900

IUPAC6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
SMILESC/C=C(\N)C1CC=CC=C1O
InChIInChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-4,6-7,11H,5,10H2,1H3/b8-2-
InChIKeyCCVOSBCOJXRXFS-WAPJZHGLSA-N
MW151.21 g/mol
LogP1.87
Rot. Bonds1

About 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol

6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol (PubChem CID 67962900) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
PubChem CID67962900
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
SMILESC/C=C(\N)C1CC=CC=C1O
InChIInChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-4,6-7,11H,5,10H2,1H3/b8-2-
InChIKeyCCVOSBCOJXRXFS-WAPJZHGLSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol with MolForge

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Related Compounds

(2-Amino-3-ethylcyclohexa-2,4-dien-1-yl)methanol
CID 68199906
4-(5-Aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
CID 69305731
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
(2-Aminocyclohexa-2,4-dien-1-yl)methanol
CID 132264547
5-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 140191842
4-Aminocyclohexa-1,3-dien-1-ol;ethane
CID 141769449
acetylene;(1E)-3-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol;ethane
CID 143357506
5-Amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 145803988
4-Amino-5-methylcyclohexa-1,3-dien-1-ol
CID 154542122
(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol
CID 155216895
2-Amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol
CID 163744445
(1E)-3-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol
CID 143357507

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol (CID 67962900) is 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol is C/C=C(\N)C1CC=CC=C1O.
What is the InChIKey of 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is CCVOSBCOJXRXFS-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-4,6-7,11H,5,10H2,1H3/b8-2-.
What are the key properties of 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol?
6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67962900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).