ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one

C16H20N2O3 — CID 174817988

IUPACethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.NCCN
InChIInChI=1S/C14H12O3.C2H8N2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;3-1-2-4/h4-6H,1-3H3;1-4H2
InChIKeyDVWKIULVOWLAAQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds1

About ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one

ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 174817988) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Nameethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID174817988
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.NCCN
InChIInChI=1S/C14H12O3.C2H8N2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;3-1-2-4/h4-6H,1-3H3;1-4H2
InChIKeyDVWKIULVOWLAAQ-UHFFFAOYSA-N
XLogP2.37
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 174817988) is ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one is Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1.NCCN.
What is the InChIKey of ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is DVWKIULVOWLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C2H8N2/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13;3-1-2-4/h4-6H,1-3H3;1-4H2.
What are the key properties of ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one?
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 288.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 174817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).