2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile

C13H19N3 — CID 66404254

IUPAC2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cccn1CC1(CC#N)CC1
InChIInChI=1S/C13H19N3/c1-11(15)9-12-3-2-8-16(12)10-13(4-5-13)6-7-14/h2-3,8,11H,4-6,9-10,15H2,1H3
InChIKeyHGPWENPSQISZSJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.07
Rot. Bonds5

About 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 66404254) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID66404254
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cccn1CC1(CC#N)CC1
InChIInChI=1S/C13H19N3/c1-11(15)9-12-3-2-8-16(12)10-13(4-5-13)6-7-14/h2-3,8,11H,4-6,9-10,15H2,1H3
InChIKeyHGPWENPSQISZSJ-UHFFFAOYSA-N
XLogP2.07
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile (CID 66404254) is 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile is CC(N)Cc1cccn1CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is HGPWENPSQISZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(15)9-12-3-2-8-16(12)10-13(4-5-13)6-7-14/h2-3,8,11H,4-6,9-10,15H2,1H3.
What are the key properties of 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66404254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).