(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

C17H17NO3 — CID 80649113

IUPAC(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCc1occc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H17NO3/c1-10(2)21-12-4-5-16-14(8-12)15(9-18-16)17(19)13-6-7-20-11(13)3/h4-10,18H,1-3H3
InChIKeyBCMTXUDPFCPDHY-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.09
Rot. Bonds4

About (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (PubChem CID 80649113) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
PubChem CID80649113
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCc1occc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H17NO3/c1-10(2)21-12-4-5-16-14(8-12)15(9-18-16)17(19)13-6-7-20-11(13)3/h4-10,18H,1-3H3
InChIKeyBCMTXUDPFCPDHY-UHFFFAOYSA-N
XLogP4.09
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (CID 80649113) is (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is Cc1occc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12.
What is the InChIKey of (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The InChIKey is BCMTXUDPFCPDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10(2)21-12-4-5-16-14(8-12)15(9-18-16)17(19)13-6-7-20-11(13)3/h4-10,18H,1-3H3.
What are the key properties of (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).