4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol

C10H15NO — CID 152780172

IUPAC4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(/C=C/CN)=CC1
InChIInChI=1S/C10H15NO/c1-10(12)6-4-9(5-7-10)3-2-8-11/h2-6,12H,7-8,11H2,1H3/b3-2+
InChIKeyRTECMAMFVYJPCM-NSCUHMNNSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds2

About 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol

4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 152780172) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID152780172
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(/C=C/CN)=CC1
InChIInChI=1S/C10H15NO/c1-10(12)6-4-9(5-7-10)3-2-8-11/h2-6,12H,7-8,11H2,1H3/b3-2+
InChIKeyRTECMAMFVYJPCM-NSCUHMNNSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol (CID 152780172) is 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(/C=C/CN)=CC1.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is RTECMAMFVYJPCM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(12)6-4-9(5-7-10)3-2-8-11/h2-6,12H,7-8,11H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol?
4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 152780172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).