N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide

C12H19N3O — CID 66406741

IUPACN-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1ccn(CC(=O)NC2CC2)c1
InChIInChI=1S/C12H19N3O/c1-2-13-7-10-5-6-15(8-10)9-12(16)14-11-3-4-11/h5-6,8,11,13H,2-4,7,9H2,1H3,(H,14,16)
InChIKeyBOZJNEVPDPIMDH-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.88
Rot. Bonds6

About N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide

N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66406741) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66406741
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1ccn(CC(=O)NC2CC2)c1
InChIInChI=1S/C12H19N3O/c1-2-13-7-10-5-6-15(8-10)9-12(16)14-11-3-4-11/h5-6,8,11,13H,2-4,7,9H2,1H3,(H,14,16)
InChIKeyBOZJNEVPDPIMDH-UHFFFAOYSA-N
XLogP0.88
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
CID 66404307
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66406741) is N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1ccn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is BOZJNEVPDPIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-13-7-10-5-6-15(8-10)9-12(16)14-11-3-4-11/h5-6,8,11,13H,2-4,7,9H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66406741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).