6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine

C20H20N2O — CID 135964179

IUPAC6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine
SMILESc1ccc2c(c1)CC[C@H]2/N=C1/Nc2ccc(C3CC3)cc2CO1
InChIInChI=1S/C20H20N2O/c1-2-4-17-14(3-1)7-10-19(17)22-20-21-18-9-8-15(13-5-6-13)11-16(18)12-23-20/h1-4,8-9,11,13,19H,5-7,10,12H2,(H,21,22)/t19-/m1/s1
InChIKeySKEMRRKOAHVYSY-LJQANCHMSA-N
MW304.39 g/mol
LogP4.55
Rot. Bonds2

About 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine

6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine (PubChem CID 135964179) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine
PubChem CID135964179
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine
SMILESc1ccc2c(c1)CC[C@H]2/N=C1/Nc2ccc(C3CC3)cc2CO1
InChIInChI=1S/C20H20N2O/c1-2-4-17-14(3-1)7-10-19(17)22-20-21-18-9-8-15(13-5-6-13)11-16(18)12-23-20/h1-4,8-9,11,13,19H,5-7,10,12H2,(H,21,22)/t19-/m1/s1
InChIKeySKEMRRKOAHVYSY-LJQANCHMSA-N
XLogP4.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine?
The IUPAC name of 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine (CID 135964179) is 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine.
What is the SMILES notation for 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine?
The canonical SMILES for 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine is c1ccc2c(c1)CC[C@H]2/N=C1/Nc2ccc(C3CC3)cc2CO1.
What is the InChIKey of 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine?
The InChIKey is SKEMRRKOAHVYSY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-4-17-14(3-1)7-10-19(17)22-20-21-18-9-8-15(13-5-6-13)11-16(18)12-23-20/h1-4,8-9,11,13,19H,5-7,10,12H2,(H,21,22)/t19-/m1/s1.
What are the key properties of 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine?
6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine has a molecular weight of 304.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydro-3,1-benzoxazin-2-imine is sourced from PubChem (CID 135964179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).