N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide

C12H18N2O2 — CID 79098745

IUPACN-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
SMILESCCC(=O)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C12H18N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyOBDNBDZQXCRHDE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.61
Rot. Bonds6

About N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide

N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide (PubChem CID 79098745) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
PubChem CID79098745
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
SMILESCCC(=O)c1ccn(CCCC(=O)NC)c1
InChIInChI=1S/C12H18N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyOBDNBDZQXCRHDE-UHFFFAOYSA-N
XLogP1.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
4-(3-propanoylpyrrol-1-yl)butanenitrile
CID 79098627
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]propan-1-one
CID 103005392
1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-1-one
CID 79098182
1-[1-(2-methylprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79098631
methyl 1-(4-methoxy-4-oxobutyl)pyrrole-3-carboxylate
CID 146261082
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79172884

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide?
The IUPAC name of N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide (CID 79098745) is N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide is CCC(=O)c1ccn(CCCC(=O)NC)c1.
What is the InChIKey of N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide?
The InChIKey is OBDNBDZQXCRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-11(15)10-6-8-14(9-10)7-4-5-12(16)13-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide?
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide is sourced from PubChem (CID 79098745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).