1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane

C23H28N2O — CID 56859547

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
SMILESc1ccc2c(c1)CC(N1CCCN(C3COc4ccccc4C3)CC1)C2
InChIInChI=1S/C23H28N2O/c1-2-7-19-15-21(14-18(19)6-1)24-10-5-11-25(13-12-24)22-16-20-8-3-4-9-23(20)26-17-22/h1-4,6-9,21-22H,5,10-17H2
InChIKeyMSPKZHYFOOBRTH-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.17
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane

1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane (PubChem CID 56859547) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
PubChem CID56859547
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
SMILESc1ccc2c(c1)CC(N1CCCN(C3COc4ccccc4C3)CC1)C2
InChIInChI=1S/C23H28N2O/c1-2-7-19-15-21(14-18(19)6-1)24-10-5-11-25(13-12-24)22-16-20-8-3-4-9-23(20)26-17-22/h1-4,6-9,21-22H,5,10-17H2
InChIKeyMSPKZHYFOOBRTH-UHFFFAOYSA-N
XLogP3.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane (CID 56859547) is 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane is c1ccc2c(c1)CC(N1CCCN(C3COc4ccccc4C3)CC1)C2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane?
The InChIKey is MSPKZHYFOOBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-7-19-15-21(14-18(19)6-1)24-10-5-11-25(13-12-24)22-16-20-8-3-4-9-23(20)26-17-22/h1-4,6-9,21-22H,5,10-17H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane?
1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane has a molecular weight of 348.49 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane is sourced from PubChem (CID 56859547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).