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

C12H17INO- — CID 146163348

IUPAC(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate
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/p-1/b12-10-
InChIKeyWFGFNADOEMGUOQ-BENRWUELSA-M
MW318.18 g/mol
LogP2.57
Rot. Bonds3

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

(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate (PubChem CID 146163348) has the molecular formula C12H17INO- and a molecular weight of 318.18 g/mol. Its IUPAC name is (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Name(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate
PubChem CID146163348
Molecular FormulaC12H17INO-
Molecular Weight318.18 g/mol
Exact Mass318.04
IUPAC Name(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate
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/p-1/b12-10-
InChIKeyWFGFNADOEMGUOQ-BENRWUELSA-M
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
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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Related Compounds

Cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanolate
CID 134856976
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]-[(6E)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanolate
CID 177566591

Frequently Asked Questions

What is the IUPAC name of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate?
The IUPAC name of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate (CID 146163348) is (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate 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)methanolate?
The InChIKey is WFGFNADOEMGUOQ-BENRWUELSA-M. 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/p-1/b12-10-.
What are the key properties of (Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate?
(Z)-[di(propan-2-yl)amino]-(2-iodocyclopenta-2,4-dien-1-ylidene)methanolate has a molecular weight of 318.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 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)methanolate is sourced from PubChem (CID 146163348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).