2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol

C10H15NO — CID 90222077

IUPAC2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol
SMILESC=CC1C=CC=C1CNCCO
InChIInChI=1S/C10H15NO/c1-2-9-4-3-5-10(9)8-11-6-7-12/h2-5,9,11-12H,1,6-8H2
InChIKeyPCBXSORFFZJAGC-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.87
Rot. Bonds5

About 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol

2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol (PubChem CID 90222077) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol
PubChem CID90222077
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol
SMILESC=CC1C=CC=C1CNCCO
InChIInChI=1S/C10H15NO/c1-2-9-4-3-5-10(9)8-11-6-7-12/h2-5,9,11-12H,1,6-8H2
InChIKeyPCBXSORFFZJAGC-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol (CID 90222077) is 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol is C=CC1C=CC=C1CNCCO.
What is the InChIKey of 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol?
The InChIKey is PCBXSORFFZJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9-4-3-5-10(9)8-11-6-7-12/h2-5,9,11-12H,1,6-8H2.
What are the key properties of 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol?
2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol has a molecular weight of 165.24 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol is sourced from PubChem (CID 90222077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).