cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate

C12H18NO- — CID 134856976

IUPACcyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate
SMILESCC(C)N(C([O-])=C1C=CC=C1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11/h5-10,14H,1-4H3/p-1
InChIKeyWUETZFVJMWLJBL-UHFFFAOYSA-M
MW192.28 g/mol
LogP1.80
Rot. Bonds3

About cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate

cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate (PubChem CID 134856976) has the molecular formula C12H18NO- and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate
PubChem CID134856976
Molecular FormulaC12H18NO-
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Namecyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate
SMILESCC(C)N(C([O-])=C1C=CC=C1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11/h5-10,14H,1-4H3/p-1
InChIKeyWUETZFVJMWLJBL-UHFFFAOYSA-M
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785
(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate
CID 146163348
(Z)-[di(propan-2-yl)amino]-(2-trimethylsilylcyclopenta-2,4-dien-1-ylidene)methanolate
CID 155936829
(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine
CID 146596100
(2Z,4Z)-3-ethenyl-N-ethyl-N-propan-2-ylhexa-2,4-dien-2-amine
CID 156423112
Cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate
CID 13280613
Cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
CID 134856977
(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol
CID 146163349
(Z)-[di(propan-2-yl)amino]-(2-trimethylsilylcyclopenta-2,4-dien-1-ylidene)methanol
CID 155936830
(Z)-[di(propan-2-yl)amino]-[(6E)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanolate
CID 177566591
(Z)-[di(propan-2-yl)amino]-[(6E)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanol
CID 177566592

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate (CID 134856976) is cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate is CC(C)N(C([O-])=C1C=CC=C1)C(C)C.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate?
The InChIKey is WUETZFVJMWLJBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19NO/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11/h5-10,14H,1-4H3/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate?
cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate has a molecular weight of 192.28 g/mol, XLogP of 1.80, 3 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-[di(propan-2-yl)amino]methanolate is sourced from PubChem (CID 134856976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).