cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol

C10H13NO — CID 12824761

IUPACcyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol
SMILESCC(C)=CNC(O)=C1C=CC=C1
InChIInChI=1S/C10H13NO/c1-8(2)7-11-10(12)9-5-3-4-6-9/h3-7,11-12H,1-2H3
InChIKeyPJBZZQCRIDTZCO-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.40
Rot. Bonds2

About cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol

cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol (PubChem CID 12824761) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol
PubChem CID12824761
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namecyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol
SMILESCC(C)=CNC(O)=C1C=CC=C1
InChIInChI=1S/C10H13NO/c1-8(2)7-11-10(12)9-5-3-4-6-9/h3-7,11-12H,1-2H3
InChIKeyPJBZZQCRIDTZCO-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol (CID 12824761) is cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol is CC(C)=CNC(O)=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol?
The InChIKey is PJBZZQCRIDTZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)7-11-10(12)9-5-3-4-6-9/h3-7,11-12H,1-2H3.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol?
cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol has a molecular weight of 163.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol is sourced from PubChem (CID 12824761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).