[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone

C19H24N2O2 — CID 95094671

IUPAC[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
SMILESCCCn1cc2c3c(cccc31)CN(C(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C19H24N2O2/c1-2-9-20-12-15-8-10-21(19(22)17-7-4-11-23-17)13-14-5-3-6-16(20)18(14)15/h3,5-6,12,17H,2,4,7-11,13H2,1H3/t17-/m0/s1
InChIKeyHGYLHTHOEVTYQS-KRWDZBQOSA-N
MW312.41 g/mol
LogP3.12
Rot. Bonds3

About [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone

[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone (PubChem CID 95094671) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
PubChem CID95094671
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
SMILESCCCn1cc2c3c(cccc31)CN(C(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C19H24N2O2/c1-2-9-20-12-15-8-10-21(19(22)17-7-4-11-23-17)13-14-5-3-6-16(20)18(14)15/h3,5-6,12,17H,2,4,7-11,13H2,1H3/t17-/m0/s1
InChIKeyHGYLHTHOEVTYQS-KRWDZBQOSA-N
XLogP3.12
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300504
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
CID 110646755
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]-4-phenylbutan-1-one
CID 53140207
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 71933453
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
CID 124810653
2-(1-methylpyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801246
N-[4-[3-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carbonyl]phenyl]acetamide
CID 53140183
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 163402060

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone (CID 95094671) is [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone is CCCn1cc2c3c(cccc31)CN(C(=O)[C@@H]1CCCO1)CC2.
What is the InChIKey of [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone?
The InChIKey is HGYLHTHOEVTYQS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-9-20-12-15-8-10-21(19(22)17-7-4-11-23-17)13-14-5-3-6-16(20)18(14)15/h3,5-6,12,17H,2,4,7-11,13H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone?
[(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-(3-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone is sourced from PubChem (CID 95094671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).