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

C12H18INO — CID 146163349

IUPAC(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol
SMILESCC(C)N(/C(O)=C1\C=CC=C1I)C(C)C
InChIInChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-9,15H,1-4H3/b12-10-
InChIKeyWFGFNADOEMGUOQ-BENRWUELSA-N
MW319.19 g/mol
LogP3.76
Rot. Bonds3

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

(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 146163349) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID146163349
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol
SMILESCC(C)N(/C(O)=C1\C=CC=C1I)C(C)C
InChIInChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-9,15H,1-4H3/b12-10-
InChIKeyWFGFNADOEMGUOQ-BENRWUELSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol (CID 146163349) is (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol is CC(C)N(/C(O)=C1\C=CC=C1I)C(C)C.
What is the InChIKey of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is WFGFNADOEMGUOQ-BENRWUELSA-N. The full InChI is InChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-9,15H,1-4H3/b12-10-.
What are the key properties of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol?
(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 319.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 146163349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).