[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

C18H22N2O2 — CID 41247140

IUPAC[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCO1
InChIInChI=1S/C18H22N2O2/c1-12-11-20(8-9-22-12)18(21)13-6-7-17-15(10-13)14-4-2-3-5-16(14)19-17/h6-7,10,12,19H,2-5,8-9,11H2,1H3/t12-/m0/s1
InChIKeyRWAQCKQHPCSMAN-LBPRGKRZSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds1

About [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (PubChem CID 41247140) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
PubChem CID41247140
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCO1
InChIInChI=1S/C18H22N2O2/c1-12-11-20(8-9-22-12)18(21)13-6-7-17-15(10-13)14-4-2-3-5-16(14)19-17/h6-7,10,12,19H,2-5,8-9,11H2,1H3/t12-/m0/s1
InChIKeyRWAQCKQHPCSMAN-LBPRGKRZSA-N
XLogP2.91
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The IUPAC name of [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (CID 41247140) is [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCO1.
What is the InChIKey of [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The InChIKey is RWAQCKQHPCSMAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-11-20(8-9-22-12)18(21)13-6-7-17-15(10-13)14-4-2-3-5-16(14)19-17/h6-7,10,12,19H,2-5,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is sourced from PubChem (CID 41247140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).