2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide

C12H18INO — CID 102383509

IUPAC2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC=C1I)C(C)C
InChIInChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-10H,1-4H3
InChIKeyVWMIPHCRRSFUFF-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.14
Rot. Bonds3

About 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide

2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 102383509) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID102383509
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC=C1I)C(C)C
InChIInChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-10H,1-4H3
InChIKeyVWMIPHCRRSFUFF-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide (CID 102383509) is 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide is CC(C)N(C(=O)C1C=CC=C1I)C(C)C.
What is the InChIKey of 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is VWMIPHCRRSFUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13/h5-10H,1-4H3.
What are the key properties of 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 319.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 102383509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).