cyclopenta-2,4-dien-1-ylidene(propylamino)methanol

C9H13NO — CID 158345737

IUPACcyclopenta-2,4-dien-1-ylidene(propylamino)methanol
SMILESCCCNC(O)=C1C=CC=C1
InChIInChI=1S/C9H13NO/c1-2-7-10-9(11)8-5-3-4-6-8/h3-6,10-11H,2,7H2,1H3
InChIKeyIWZBRNZEBCWLEF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.88
Rot. Bonds3

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

cyclopenta-2,4-dien-1-ylidene(propylamino)methanol (PubChem CID 158345737) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(propylamino)methanol.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(propylamino)methanol
PubChem CID158345737
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namecyclopenta-2,4-dien-1-ylidene(propylamino)methanol
SMILESCCCNC(O)=C1C=CC=C1
InChIInChI=1S/C9H13NO/c1-2-7-10-9(11)8-5-3-4-6-8/h3-6,10-11H,2,7H2,1H3
InChIKeyIWZBRNZEBCWLEF-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.88
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(propylamino)methanol?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(propylamino)methanol (CID 158345737) is cyclopenta-2,4-dien-1-ylidene(propylamino)methanol.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(propylamino)methanol?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(propylamino)methanol is CCCNC(O)=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(propylamino)methanol?
The InChIKey is IWZBRNZEBCWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-10-9(11)8-5-3-4-6-8/h3-6,10-11H,2,7H2,1H3.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(propylamino)methanol?
cyclopenta-2,4-dien-1-ylidene(propylamino)methanol has a molecular weight of 151.21 g/mol, XLogP of 1.88, 3 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(propylamino)methanol is sourced from PubChem (CID 158345737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).