N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C10H18N2O — CID 79507708

IUPACN-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NCCC2CCCO2)C1
InChIInChI=1S/C10H18N2O/c1-4-10(11-6-1)12-7-5-9-3-2-8-13-9/h9H,1-8H2,(H,11,12)
InChIKeyGLDDGYACZZXDQF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.34
Rot. Bonds3

About N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79507708) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79507708
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1CN=C(NCCC2CCCO2)C1
InChIInChI=1S/C10H18N2O/c1-4-10(11-6-1)12-7-5-9-3-2-8-13-9/h9H,1-8H2,(H,11,12)
InChIKeyGLDDGYACZZXDQF-UHFFFAOYSA-N
XLogP1.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79507708) is N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is C1CN=C(NCCC2CCCO2)C1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GLDDGYACZZXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(11-6-1)12-7-5-9-3-2-8-13-9/h9H,1-8H2,(H,11,12).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 182.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79507708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).