6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione

C15H16N2O3 — CID 166164856

IUPAC6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESC/C=C\C(=C/C=C/CC)c1cc2[nH]c(=O)[nH]c(=O)c2o1
InChIInChI=1S/C15H16N2O3/c1-3-5-6-8-10(7-4-2)12-9-11-13(20-12)14(18)17-15(19)16-11/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b6-5+,7-4-,10-8+
InChIKeyYUZAMELUHSPIDL-VBIDDDQESA-N
MW272.30 g/mol
LogP2.74
Rot. Bonds4

About 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione

6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 166164856) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID166164856
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESC/C=C\C(=C/C=C/CC)c1cc2[nH]c(=O)[nH]c(=O)c2o1
InChIInChI=1S/C15H16N2O3/c1-3-5-6-8-10(7-4-2)12-9-11-13(20-12)14(18)17-15(19)16-11/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b6-5+,7-4-,10-8+
InChIKeyYUZAMELUHSPIDL-VBIDDDQESA-N
XLogP2.74
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 166164856) is 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione is C/C=C\C(=C/C=C/CC)c1cc2[nH]c(=O)[nH]c(=O)c2o1.
What is the InChIKey of 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YUZAMELUHSPIDL-VBIDDDQESA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-5-6-8-10(7-4-2)12-9-11-13(20-12)14(18)17-15(19)16-11/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b6-5+,7-4-,10-8+.
What are the key properties of 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione?
6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166164856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).