N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide

C13H19N3O — CID 43639095

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H19N3O/c1-2-5-16-6-3-4-11(16)13(17)15-12-9-7-14-8-10(9)12/h3-4,6,9-10,12,14H,2,5,7-8H2,1H3,(H,15,17)
InChIKeyFWMNHRFOPAKBCT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.85
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 43639095) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
PubChem CID43639095
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H19N3O/c1-2-5-16-6-3-4-11(16)13(17)15-12-9-7-14-8-10(9)12/h3-4,6,9-10,12,14H,2,5,7-8H2,1H3,(H,15,17)
InChIKeyFWMNHRFOPAKBCT-UHFFFAOYSA-N
XLogP0.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide (CID 43639095) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is FWMNHRFOPAKBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-5-16-6-3-4-11(16)13(17)15-12-9-7-14-8-10(9)12/h3-4,6,9-10,12,14H,2,5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).