4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine

C15H20N2O — CID 3039628

IUPAC4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine
SMILESCC1N=C(N2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-12-14(13-5-3-2-4-6-13)11-15(16-12)17-7-9-18-10-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyKBPPQMHSTCMNGW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.29
Rot. Bonds1

About 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine

4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine (PubChem CID 3039628) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine
PubChem CID3039628
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine
SMILESCC1N=C(N2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-12-14(13-5-3-2-4-6-13)11-15(16-12)17-7-9-18-10-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyKBPPQMHSTCMNGW-UHFFFAOYSA-N
XLogP2.29
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine?
The IUPAC name of 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine (CID 3039628) is 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine?
The canonical SMILES for 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine is CC1N=C(N2CCOCC2)CC1c1ccccc1.
What is the InChIKey of 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine?
The InChIKey is KBPPQMHSTCMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-14(13-5-3-2-4-6-13)11-15(16-12)17-7-9-18-10-8-17/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine?
4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine has a molecular weight of 244.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine is sourced from PubChem (CID 3039628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).