N-[2-(3H-pyrrol-4-yl)ethyl]propanamide

C9H14N2O — CID 159709332

IUPACN-[2-(3H-pyrrol-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-6-4-8-3-5-10-7-8/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyMYPYUICXUVCSJH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.26
Rot. Bonds4

About N-[2-(3H-pyrrol-4-yl)ethyl]propanamide

N-[2-(3H-pyrrol-4-yl)ethyl]propanamide (PubChem CID 159709332) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[2-(3H-pyrrol-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3H-pyrrol-4-yl)ethyl]propanamide
PubChem CID159709332
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[2-(3H-pyrrol-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-6-4-8-3-5-10-7-8/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyMYPYUICXUVCSJH-UHFFFAOYSA-N
XLogP1.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
CID 58710755
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
CID 91522023
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
CID 129258522
molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069991
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]propanamide?
The IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]propanamide (CID 159709332) is N-[2-(3H-pyrrol-4-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3H-pyrrol-4-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(3H-pyrrol-4-yl)ethyl]propanamide is CCC(=O)NCCC1=CN=CC1.
What is the InChIKey of N-[2-(3H-pyrrol-4-yl)ethyl]propanamide?
The InChIKey is MYPYUICXUVCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(12)11-6-4-8-3-5-10-7-8/h5,7H,2-4,6H2,1H3,(H,11,12).
What are the key properties of N-[2-(3H-pyrrol-4-yl)ethyl]propanamide?
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-pyrrol-4-yl)ethyl]propanamide is sourced from PubChem (CID 159709332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).