(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one

C19H20N2O2 — CID 10063875

IUPAC(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
SMILESO=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1
InChIInChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
InChIKeyNPATVCXCHCPFCB-OAHLLOKOSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one

(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one (PubChem CID 10063875) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one.

Molecular Properties

Compound Name(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
PubChem CID10063875
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
SMILESO=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1
InChIInChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1
InChIKeyNPATVCXCHCPFCB-OAHLLOKOSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The IUPAC name of (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one (CID 10063875) is (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one.
What is the SMILES notation for (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The canonical SMILES for (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one is O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1.
What is the InChIKey of (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
The InChIKey is NPATVCXCHCPFCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-10-16-17(21-18)9-7-14-6-8-15(23-19(14)16)12-20-11-13-4-2-1-3-5-13/h1-5,7,9,15,20H,6,8,10-12H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one?
(2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one has a molecular weight of 308.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one is sourced from PubChem (CID 10063875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).