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

C12H19NO — CID 134856977

IUPACcyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
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
InChIKeyWUETZFVJMWLJBL-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.00
Rot. Bonds3

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

cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol (PubChem CID 134856977) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
PubChem CID134856977
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namecyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
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
InChIKeyWUETZFVJMWLJBL-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate
CID 134856976
(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
1-[[(2S)-butan-2-yl]-[(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-yl]amino]ethenol
CID 143844577
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
(2Z)-3-[[propan-2-yl(prop-2-enyl)amino]methyl]penta-2,4-dien-2-ol
CID 146259242
1-Cyclopenta-2,4-dien-1-ylidene-3-(diethylamino)propan-1-ol
CID 49874095
(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
(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
CID 178074578

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol (CID 134856977) is cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol 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]methanol?
The InChIKey is WUETZFVJMWLJBL-UHFFFAOYSA-N. 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.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol?
cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol has a molecular weight of 193.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 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]methanol is sourced from PubChem (CID 134856977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).