2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

C19H17NO2 — CID 67250148

IUPAC2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESO=C1CCCn2c1cc1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H17NO2/c21-19-7-4-10-20-17-9-8-16(11-15(17)12-18(19)20)22-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2
InChIKeyVFNSKYUKUGORSH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.20
Rot. Bonds3

About 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (PubChem CID 67250148) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.

Molecular Properties

Compound Name2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
PubChem CID67250148
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESO=C1CCCn2c1cc1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H17NO2/c21-19-7-4-10-20-17-9-8-16(11-15(17)12-18(19)20)22-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2
InChIKeyVFNSKYUKUGORSH-UHFFFAOYSA-N
XLogP4.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-phenylmethoxy-6,7-dihydropyrido[1,2-a]indol-9-yl)acetate
CID 69416960
2-[(1-benzylpiperidin-4-yl)methylidene]-6-phenylmethoxy-1H-pyrrolo[1,2-a]indol-3-one
CID 54075094
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
CID 67250144
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 175251382
2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 15291851
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The IUPAC name of 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (CID 67250148) is 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.
What is the SMILES notation for 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The canonical SMILES for 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is O=C1CCCn2c1cc1cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The InChIKey is VFNSKYUKUGORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19-7-4-10-20-17-9-8-16(11-15(17)12-18(19)20)22-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2.
What are the key properties of 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one has a molecular weight of 291.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is sourced from PubChem (CID 67250148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).