4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide

C10H16N2O2 — CID 106423340

IUPAC4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
SMILESCn1cccc1CNC(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-12-6-2-4-9(12)8-11-10(14)5-3-7-13/h2,4,6,13H,3,5,7-8H2,1H3,(H,11,14)
InChIKeyBVXYABGUTDOYJZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.41
Rot. Bonds5

About 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide

4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide (PubChem CID 106423340) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
PubChem CID106423340
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
SMILESCn1cccc1CNC(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-12-6-2-4-9(12)8-11-10(14)5-3-7-13/h2,4,6,13H,3,5,7-8H2,1H3,(H,11,14)
InChIKeyBVXYABGUTDOYJZ-UHFFFAOYSA-N
XLogP0.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
5-[(3S)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990302
5-[(3R)-dithiolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 95990301
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106414745
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416885
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide?
The IUPAC name of 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide (CID 106423340) is 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide is Cn1cccc1CNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide?
The InChIKey is BVXYABGUTDOYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-6-2-4-9(12)8-11-10(14)5-3-7-13/h2,4,6,13H,3,5,7-8H2,1H3,(H,11,14).
What are the key properties of 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide?
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide is sourced from PubChem (CID 106423340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).