N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide

C12H18N2O2 — CID 79107389

IUPACN-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
SMILESCC(O)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(15)11-4-5-14(7-11)8-12(16)13-6-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,13,16)
InChIKeySAMGNKRZKIKZFN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.07
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide (PubChem CID 79107389) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
PubChem CID79107389
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
SMILESCC(O)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(15)11-4-5-14(7-11)8-12(16)13-6-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,13,16)
InChIKeySAMGNKRZKIKZFN-UHFFFAOYSA-N
XLogP1.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79104875
N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105595
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
CID 79104073
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(cyanomethyl)acetamide
CID 79104425
N-(cyclopropylmethyl)-2-[4-[hydroxy(phenyl)methyl]pyrazol-1-yl]acetamide
CID 138020960
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol
CID 79106752
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide (CID 79107389) is N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide is CC(O)c1ccn(CC(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
The InChIKey is SAMGNKRZKIKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)11-4-5-14(7-11)8-12(16)13-6-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,13,16).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79107389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).