(2S)-2-pyrrol-1-ylpropanamide

C7H10N2O — CID 172994083

IUPAC(2S)-2-pyrrol-1-ylpropanamide
SMILESC[C@@H](C(N)=O)n1cccc1
InChIInChI=1S/C7H10N2O/c1-6(7(8)10)9-4-2-3-5-9/h2-6H,1H3,(H2,8,10)/t6-/m0/s1
InChIKeyUJUQWXOUSFCLPL-LURJTMIESA-N
MW138.17 g/mol
LogP0.53
Rot. Bonds2

About (2S)-2-pyrrol-1-ylpropanamide

(2S)-2-pyrrol-1-ylpropanamide (PubChem CID 172994083) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2S)-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-pyrrol-1-ylpropanamide
PubChem CID172994083
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2S)-2-pyrrol-1-ylpropanamide
SMILESC[C@@H](C(N)=O)n1cccc1
InChIInChI=1S/C7H10N2O/c1-6(7(8)10)9-4-2-3-5-9/h2-6H,1H3,(H2,8,10)/t6-/m0/s1
InChIKeyUJUQWXOUSFCLPL-LURJTMIESA-N
XLogP0.53
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
N-Acetylpyrrole
CID 521947
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
CID 46343155
1-(1H-Pyrrol-1-yl)propan-1-one
CID 11564473
N-Butanoylpyrrole
CID 12853317
N-pyrrolylketene
CID 101779369
1-[1(1H)-pyrrolyl]-2-propanone
CID 6429057
N-(1-Methyl-1H-pyrrol-3-yl)acetamide
CID 12674382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2S)-2-pyrrol-1-ylpropanamide (CID 172994083) is (2S)-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2S)-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2S)-2-pyrrol-1-ylpropanamide is C[C@@H](C(N)=O)n1cccc1.
What is the InChIKey of (2S)-2-pyrrol-1-ylpropanamide?
The InChIKey is UJUQWXOUSFCLPL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(7(8)10)9-4-2-3-5-9/h2-6H,1H3,(H2,8,10)/t6-/m0/s1.
What are the key properties of (2S)-2-pyrrol-1-ylpropanamide?
(2S)-2-pyrrol-1-ylpropanamide has a molecular weight of 138.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 172994083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).