4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide

C11H18N2O2 — CID 79102812

IUPAC4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1ccc(C(C)O)c1
InChIInChI=1S/C11H18N2O2/c1-9(14)10-5-7-13(8-10)6-3-4-11(15)12-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyAZKFROWPDQTCQR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.07
Rot. Bonds5

About 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide

4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide (PubChem CID 79102812) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
PubChem CID79102812
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1ccc(C(C)O)c1
InChIInChI=1S/C11H18N2O2/c1-9(14)10-5-7-13(8-10)6-3-4-11(15)12-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyAZKFROWPDQTCQR-UHFFFAOYSA-N
XLogP1.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
ethyl 6-[3-(1-hydroxyethyl)pyrrol-1-yl]hexanoate
CID 79102011
1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol
CID 79106970
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
CID 107705862
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide (CID 79102812) is 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide is CNC(=O)CCCn1ccc(C(C)O)c1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide?
The InChIKey is AZKFROWPDQTCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)10-5-7-13(8-10)6-3-4-11(15)12-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide?
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 79102812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).