3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane

C13H23N3O — CID 143620985

IUPAC3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane
SMILESC/C=C\c1c(CC(C)C(N)=O)c[nH]c1N.CC
InChIInChI=1S/C11H17N3O.C2H6/c1-3-4-9-8(6-14-10(9)12)5-7(2)11(13)15;1-2/h3-4,6-7,14H,5,12H2,1-2H3,(H2,13,15);1-2H3/b4-3-;
InChIKeyJZCICSIFUYDIQO-LNKPDPKZSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds4

About 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane

3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane (PubChem CID 143620985) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane.

Molecular Properties

Compound Name3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane
PubChem CID143620985
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane
SMILESC/C=C\c1c(CC(C)C(N)=O)c[nH]c1N.CC
InChIInChI=1S/C11H17N3O.C2H6/c1-3-4-9-8(6-14-10(9)12)5-7(2)11(13)15;1-2/h3-4,6-7,14H,5,12H2,1-2H3,(H2,13,15);1-2H3/b4-3-;
InChIKeyJZCICSIFUYDIQO-LNKPDPKZSA-N
XLogP2.32
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[4-[(E)-2-hydroxyprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanoic acid
CID 142107049
4-[[(2S)-1-amino-3-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170255888
2-methyl-3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
CID 83984509
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
CID 123206576
(Z)-2,4,4-trimethylhept-5-enamide
CID 144603473
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
(2S)-2-methyl-3-methylsulfonylpropanamide
CID 57086977
4-hydroxy-2,4-dimethylpentanamide
CID 89306477
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane?
The IUPAC name of 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane (CID 143620985) is 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane.
What is the SMILES notation for 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane?
The canonical SMILES for 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane is C/C=C\c1c(CC(C)C(N)=O)c[nH]c1N.CC.
What is the InChIKey of 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane?
The InChIKey is JZCICSIFUYDIQO-LNKPDPKZSA-N. The full InChI is InChI=1S/C11H17N3O.C2H6/c1-3-4-9-8(6-14-10(9)12)5-7(2)11(13)15;1-2/h3-4,6-7,14H,5,12H2,1-2H3,(H2,13,15);1-2H3/b4-3-;.
What are the key properties of 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane?
3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane has a molecular weight of 237.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanamide;ethane is sourced from PubChem (CID 143620985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).