[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol

C8H11NO2 — CID 141274236

IUPAC[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol
SMILESC=C1C=CC=CC1NC(O)O
InChIInChI=1S/C8H11NO2/c1-6-4-2-3-5-7(6)9-8(10)11/h2-5,7-11H,1H2
InChIKeyBIHILJQQRIDDLN-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.10
Rot. Bonds2

About [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol

[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol (PubChem CID 141274236) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol.

Molecular Properties

Compound Name[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol
PubChem CID141274236
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol
SMILESC=C1C=CC=CC1NC(O)O
InChIInChI=1S/C8H11NO2/c1-6-4-2-3-5-7(6)9-8(10)11/h2-5,7-11H,1H2
InChIKeyBIHILJQQRIDDLN-UHFFFAOYSA-N
XLogP-0.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol?
The IUPAC name of [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol (CID 141274236) is [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol.
What is the SMILES notation for [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol?
The canonical SMILES for [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol is C=C1C=CC=CC1NC(O)O.
What is the InChIKey of [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol?
The InChIKey is BIHILJQQRIDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-2-3-5-7(6)9-8(10)11/h2-5,7-11H,1H2.
What are the key properties of [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol?
[(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol has a molecular weight of 153.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methylidenecyclohexa-2,4-dien-1-yl)amino]methanediol is sourced from PubChem (CID 141274236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).