N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine

C9H14N2O — CID 80716810

IUPACN-(1H-pyrrol-2-ylmethyl)oxolan-3-amine
SMILESc1c[nH]c(CNC2CCOC2)c1
InChIInChI=1S/C9H14N2O/c1-2-8(10-4-1)6-11-9-3-5-12-7-9/h1-2,4,9-11H,3,5-7H2
InChIKeyXZYACTZCTQNSNC-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.89
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine

N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine (PubChem CID 80716810) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)oxolan-3-amine
PubChem CID80716810
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1H-pyrrol-2-ylmethyl)oxolan-3-amine
SMILESc1c[nH]c(CNC2CCOC2)c1
InChIInChI=1S/C9H14N2O/c1-2-8(10-4-1)6-11-9-3-5-12-7-9/h1-2,4,9-11H,3,5-7H2
InChIKeyXZYACTZCTQNSNC-UHFFFAOYSA-N
XLogP0.89
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine (CID 80716810) is N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine is c1c[nH]c(CNC2CCOC2)c1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine?
The InChIKey is XZYACTZCTQNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(10-4-1)6-11-9-3-5-12-7-9/h1-2,4,9-11H,3,5-7H2.
What are the key properties of N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine?
N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine has a molecular weight of 166.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 80716810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).