(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone

C16H18N2O2 — CID 47168279

IUPAC(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC1COCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-13-12-20-11-10-18(13)16(19)14-4-6-15(7-5-14)17-8-2-3-9-17/h2-9,13H,10-12H2,1H3
InChIKeyKTYDUNWTEISCNO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds2

About (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone

(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 47168279) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID47168279
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC1COCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-13-12-20-11-10-18(13)16(19)14-4-6-15(7-5-14)17-8-2-3-9-17/h2-9,13H,10-12H2,1H3
InChIKeyKTYDUNWTEISCNO-UHFFFAOYSA-N
XLogP2.34
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
CID 110631087
[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309760
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142

Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 47168279) is (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone is CC1COCCN1C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is KTYDUNWTEISCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-12-20-11-10-18(13)16(19)14-4-6-15(7-5-14)17-8-2-3-9-17/h2-9,13H,10-12H2,1H3.
What are the key properties of (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone?
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 47168279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).