1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone

C17H17NO2 — CID 654754

IUPAC1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)N1CCOCC1
InChIInChI=1S/C17H17NO2/c19-17(18-8-10-20-11-9-18)15-7-6-13-5-4-12-2-1-3-14(15)16(12)13/h1-3,6-7H,4-5,8-11H2
InChIKeyZTSRKRWRNBHAIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.41
Rot. Bonds1

About 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone

1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone (PubChem CID 654754) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone
PubChem CID654754
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)N1CCOCC1
InChIInChI=1S/C17H17NO2/c19-17(18-8-10-20-11-9-18)15-7-6-13-5-4-12-2-1-3-14(15)16(12)13/h1-3,6-7H,4-5,8-11H2
InChIKeyZTSRKRWRNBHAIF-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-{[(3r)-1-(2,3-Dihydro-1h-Inden-2-Yl)piperidin-3-Yl]methyl}-N-(2-Methoxyethyl)naphthalene-2-Carboxamide
CID 25396473
Naphthalen-1-yl(piperidin-1-yl)methanone
CID 229390
N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 24979575
3-(Morpholin-4-yl)-1-(naphthalen-2-yl)propan-1-one hydrochloride
CID 2807049
4-[2-(Aminomethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962331
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305330
2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2826521
(4-Methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 883764
4-(Naphthalene-2-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 883848
2-(Piperidine-1-carbonyl)fluoren-9-one
CID 1092427

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone (CID 654754) is 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone is O=C(c1ccc2c3c(cccc13)CC2)N1CCOCC1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone?
The InChIKey is ZTSRKRWRNBHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-8-10-20-11-9-18)15-7-6-13-5-4-12-2-1-3-14(15)16(12)13/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone?
1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 654754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).