3,4-dihydro-2H-pyrrol-4-yl carbamate

C5H8N2O2 — CID 175095145

IUPAC3,4-dihydro-2H-pyrrol-4-yl carbamate
SMILESNC(=O)OC1C=NCC1
InChIInChI=1S/C5H8N2O2/c6-5(8)9-4-1-2-7-3-4/h3-4H,1-2H2,(H2,6,8)
InChIKeyJYCJBQHNESZHKF-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.08
Rot. Bonds1

About 3,4-dihydro-2H-pyrrol-4-yl carbamate

3,4-dihydro-2H-pyrrol-4-yl carbamate (PubChem CID 175095145) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrol-4-yl carbamate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrol-4-yl carbamate
PubChem CID175095145
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3,4-dihydro-2H-pyrrol-4-yl carbamate
SMILESNC(=O)OC1C=NCC1
InChIInChI=1S/C5H8N2O2/c6-5(8)9-4-1-2-7-3-4/h3-4H,1-2H2,(H2,6,8)
InChIKeyJYCJBQHNESZHKF-UHFFFAOYSA-N
XLogP-0.08
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrol-4-yl carbamate?
The IUPAC name of 3,4-dihydro-2H-pyrrol-4-yl carbamate (CID 175095145) is 3,4-dihydro-2H-pyrrol-4-yl carbamate.
What is the SMILES notation for 3,4-dihydro-2H-pyrrol-4-yl carbamate?
The canonical SMILES for 3,4-dihydro-2H-pyrrol-4-yl carbamate is NC(=O)OC1C=NCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrrol-4-yl carbamate?
The InChIKey is JYCJBQHNESZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-5(8)9-4-1-2-7-3-4/h3-4H,1-2H2,(H2,6,8).
What are the key properties of 3,4-dihydro-2H-pyrrol-4-yl carbamate?
3,4-dihydro-2H-pyrrol-4-yl carbamate has a molecular weight of 128.13 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrol-4-yl carbamate is sourced from PubChem (CID 175095145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).