N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide

C11H18N2O — CID 11492092

IUPACN-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESCCCCN(Cc1ccc[nH]1)C(C)=O
InChIInChI=1S/C11H18N2O/c1-3-4-8-13(10(2)14)9-11-6-5-7-12-11/h5-7,12H,3-4,8-9H2,1-2H3
InChIKeyJROLURPJQHMBOQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.16
Rot. Bonds5

About N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide

N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide (PubChem CID 11492092) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide
PubChem CID11492092
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESCCCCN(Cc1ccc[nH]1)C(C)=O
InChIInChI=1S/C11H18N2O/c1-3-4-8-13(10(2)14)9-11-6-5-7-12-11/h5-7,12H,3-4,8-9H2,1-2H3
InChIKeyJROLURPJQHMBOQ-UHFFFAOYSA-N
XLogP2.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-henicosyl-1H-pyrrole
CID 173176320
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N-(pyridin-2-ylmethyl)-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 15433725
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
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N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
N-butyl-N-heptylacetamide
CID 91713167
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
2-pentyl-1H-azonine
CID 174935963
N,N-di(icosyl)acetamide
CID 57063838
N,N-di(pentadecyl)acetamide
CID 174726671

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide?
The IUPAC name of N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide (CID 11492092) is N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide.
What is the SMILES notation for N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide?
The canonical SMILES for N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide is CCCCN(Cc1ccc[nH]1)C(C)=O.
What is the InChIKey of N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide?
The InChIKey is JROLURPJQHMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-13(10(2)14)9-11-6-5-7-12-11/h5-7,12H,3-4,8-9H2,1-2H3.
What are the key properties of N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide?
N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide has a molecular weight of 194.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide is sourced from PubChem (CID 11492092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).