N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide

C11H16N2O — CID 169466762

IUPACN-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1[nH]c(C)cc1C
InChIInChI=1S/C11H16N2O/c1-8-7-9(2)13-11(8)5-4-6-12-10(3)14/h4-5,7,13H,6H2,1-3H3,(H,12,14)
InChIKeyLITQHVWSKANMQV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.78
Rot. Bonds3

About N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide

N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide (PubChem CID 169466762) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide
PubChem CID169466762
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1[nH]c(C)cc1C
InChIInChI=1S/C11H16N2O/c1-8-7-9(2)13-11(8)5-4-6-12-10(3)14/h4-5,7,13H,6H2,1-3H3,(H,12,14)
InChIKeyLITQHVWSKANMQV-UHFFFAOYSA-N
XLogP1.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide (CID 169466762) is N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1[nH]c(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide?
The InChIKey is LITQHVWSKANMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-9(2)13-11(8)5-4-6-12-10(3)14/h4-5,7,13H,6H2,1-3H3,(H,12,14).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide?
N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide has a molecular weight of 192.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).