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

C10H16N2O — CID 59561910

IUPACN-[2-(3H-pyrrol-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(13)12-7-5-9-4-6-11-8-9/h6,8H,2-5,7H2,1H3,(H,12,13)
InChIKeyRSOVEUSTASVKFV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds5

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

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide (PubChem CID 59561910) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-(3H-pyrrol-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3H-pyrrol-4-yl)ethyl]butanamide
PubChem CID59561910
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[2-(3H-pyrrol-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(13)12-7-5-9-4-6-11-8-9/h6,8H,2-5,7H2,1H3,(H,12,13)
InChIKeyRSOVEUSTASVKFV-UHFFFAOYSA-N
XLogP1.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
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-(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
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
N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
CID 146699889
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]butanamide (CID 59561910) is N-[2-(3H-pyrrol-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(3H-pyrrol-4-yl)ethyl]butanamide is CCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The InChIKey is RSOVEUSTASVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-10(13)12-7-5-9-4-6-11-8-9/h6,8H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide has a molecular weight of 180.25 g/mol, XLogP of 1.65, 5 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]butanamide is sourced from PubChem (CID 59561910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).