3-amino-1-methylcyclohexa-2,4-dien-1-ol

C7H11NO — CID 154274448

IUPAC3-amino-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=C(N)C=CC1
InChIInChI=1S/C7H11NO/c1-7(9)4-2-3-6(8)5-7/h2-3,5,9H,4,8H2,1H3
InChIKeyPVDCAWPBXDUAPB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.54
Rot. Bonds

About 3-amino-1-methylcyclohexa-2,4-dien-1-ol

3-amino-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 154274448) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-amino-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-amino-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID154274448
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-amino-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=C(N)C=CC1
InChIInChI=1S/C7H11NO/c1-7(9)4-2-3-6(8)5-7/h2-3,5,9H,4,8H2,1H3
InChIKeyPVDCAWPBXDUAPB-UHFFFAOYSA-N
XLogP0.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-amino-1-methylcyclohexa-2,4-dien-1-ol (CID 154274448) is 3-amino-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-amino-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-amino-1-methylcyclohexa-2,4-dien-1-ol is CC1(O)C=C(N)C=CC1.
What is the InChIKey of 3-amino-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is PVDCAWPBXDUAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(9)4-2-3-6(8)5-7/h2-3,5,9H,4,8H2,1H3.
What are the key properties of 3-amino-1-methylcyclohexa-2,4-dien-1-ol?
3-amino-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).