cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate

C10H10NO- — CID 162418654

IUPACcyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate
SMILES[O-]C(=C1C=CC=C1)N1C=CCC1
InChIInChI=1S/C10H11NO/c12-10(9-5-1-2-6-9)11-7-3-4-8-11/h1-3,5-7,12H,4,8H2/p-1
InChIKeyCUFYWHUPWHLCDX-UHFFFAOYSA-M
MW160.20 g/mol
LogP0.90
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate

cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate (PubChem CID 162418654) has the molecular formula C10H10NO- and a molecular weight of 160.20 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate
PubChem CID162418654
Molecular FormulaC10H10NO-
Molecular Weight160.20 g/mol
Exact Mass160.08
IUPAC Namecyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate
SMILES[O-]C(=C1C=CC=C1)N1C=CCC1
InChIInChI=1S/C10H11NO/c12-10(9-5-1-2-6-9)11-7-3-4-8-11/h1-3,5-7,12H,4,8H2/p-1
InChIKeyCUFYWHUPWHLCDX-UHFFFAOYSA-M
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
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(2,3-dihydropyrrol-1-yl)methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate (CID 162418654) is cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate is [O-]C(=C1C=CC=C1)N1C=CCC1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate?
The InChIKey is CUFYWHUPWHLCDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO/c12-10(9-5-1-2-6-9)11-7-3-4-8-11/h1-3,5-7,12H,4,8H2/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate?
cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate has a molecular weight of 160.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene(2,3-dihydropyrrol-1-yl)methanolate is sourced from PubChem (CID 162418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).