2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one

C14H14N2O2 — CID 773645

IUPAC2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)oc3ccccc3c2n1C(C)C
InChIInChI=1S/C14H14N2O2/c1-8(2)16-9(3)15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-8H,1-3H3
InChIKeyTYCPJUKGOSVCTL-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.03
Rot. Bonds1

About 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one

2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one (PubChem CID 773645) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one
PubChem CID773645
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)oc3ccccc3c2n1C(C)C
InChIInChI=1S/C14H14N2O2/c1-8(2)16-9(3)15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-8H,1-3H3
InChIKeyTYCPJUKGOSVCTL-UHFFFAOYSA-N
XLogP3.03
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one (CID 773645) is 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one is Cc1nc2c(=O)oc3ccccc3c2n1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one?
The InChIKey is TYCPJUKGOSVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8(2)16-9(3)15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-8H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one?
2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylchromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 773645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).