N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide

C11H15N3O2 — CID 66194802

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c12-8-6-3-5-16-10(6)9(8)14-11(15)7-2-1-4-13-7/h1-2,4,6,8-10,13H,3,5,12H2,(H,14,15)
InChIKeyFYKKXSUZVCFVCW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.14
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide (PubChem CID 66194802) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
PubChem CID66194802
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c12-8-6-3-5-16-10(6)9(8)14-11(15)7-2-1-4-13-7/h1-2,4,6,8-10,13H,3,5,12H2,(H,14,15)
InChIKeyFYKKXSUZVCFVCW-UHFFFAOYSA-N
XLogP-0.14
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide (CID 66194802) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide is NC1C2CCOC2C1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is FYKKXSUZVCFVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-6-3-5-16-10(6)9(8)14-11(15)7-2-1-4-13-7/h1-2,4,6,8-10,13H,3,5,12H2,(H,14,15).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 66194802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).