N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide

C13H20N2O3 — CID 154757540

IUPACN-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]ccc1C(=O)NC1(CO)CCOC1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-10(3-5-14-11)12(17)15-13(7-16)4-6-18-8-13/h3,5,9,14,16H,4,6-8H2,1-2H3,(H,15,17)
InChIKeyBQFVQUBGPNBMRZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.02
Rot. Bonds4

About N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide

N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 154757540) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
PubChem CID154757540
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]ccc1C(=O)NC1(CO)CCOC1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-10(3-5-14-11)12(17)15-13(7-16)4-6-18-8-13/h3,5,9,14,16H,4,6-8H2,1-2H3,(H,15,17)
InChIKeyBQFVQUBGPNBMRZ-UHFFFAOYSA-N
XLogP1.02
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
CID 124625975
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
(2R)-N-[(3R)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
CID 124625977
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-2-nitrobenzamide
CID 106297438
N-[1-(hydroxymethyl)cyclohexyl]-2-(propan-2-ylamino)benzamide
CID 63108494
1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide
CID 136530484

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide (CID 154757540) is N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide is CC(C)c1[nH]ccc1C(=O)NC1(CO)CCOC1.
What is the InChIKey of N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is BQFVQUBGPNBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)11-10(3-5-14-11)12(17)15-13(7-16)4-6-18-8-13/h3,5,9,14,16H,4,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide?
N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154757540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).