N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide

C11H18N2O3 — CID 66176682

IUPACN-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC(O)CO
InChIInChI=1S/C11H18N2O3/c1-2-5-13-6-3-4-10(13)11(16)12-7-9(15)8-14/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,12,16)
InChIKeyDTYXDAGRVBLDMB-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.02
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide

N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 66176682) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
PubChem CID66176682
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC(O)CO
InChIInChI=1S/C11H18N2O3/c1-2-5-13-6-3-4-10(13)11(16)12-7-9(15)8-14/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,12,16)
InChIKeyDTYXDAGRVBLDMB-UHFFFAOYSA-N
XLogP-0.02
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide (CID 66176682) is N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is DTYXDAGRVBLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-5-13-6-3-4-10(13)11(16)12-7-9(15)8-14/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,12,16).
What are the key properties of N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 66176682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).