8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide

C12H14INO2 — CID 90338042

IUPAC8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)CCc2cc(C(N)=O)cc(I)c2O1
InChIInChI=1S/C12H14INO2/c1-12(2)4-3-7-5-8(11(14)15)6-9(13)10(7)16-12/h5-6H,3-4H2,1-2H3,(H2,14,15)
InChIKeyKCKMPZJPBKWYGF-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.49
Rot. Bonds1

About 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide

8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide (PubChem CID 90338042) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide.

Molecular Properties

Compound Name8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
PubChem CID90338042
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)CCc2cc(C(N)=O)cc(I)c2O1
InChIInChI=1S/C12H14INO2/c1-12(2)4-3-7-5-8(11(14)15)6-9(13)10(7)16-12/h5-6H,3-4H2,1-2H3,(H2,14,15)
InChIKeyKCKMPZJPBKWYGF-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The IUPAC name of 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide (CID 90338042) is 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide.
What is the SMILES notation for 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The canonical SMILES for 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide is CC1(C)CCc2cc(C(N)=O)cc(I)c2O1.
What is the InChIKey of 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The InChIKey is KCKMPZJPBKWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-12(2)4-3-7-5-8(11(14)15)6-9(13)10(7)16-12/h5-6H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide has a molecular weight of 331.15 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide is sourced from PubChem (CID 90338042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).