1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide

C14H20N2O3 — CID 91774545

IUPAC1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H20N2O3/c1-18-13-6-8-19-9-11(13)15-14(17)12-3-2-7-16(12)10-4-5-10/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,15,17)/t11-,13-/m1/s1
InChIKeyPFSHOGTXTUOQNP-DGCLKSJQSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds4

About 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide (PubChem CID 91774545) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
PubChem CID91774545
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H20N2O3/c1-18-13-6-8-19-9-11(13)15-14(17)12-3-2-7-16(12)10-4-5-10/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,15,17)/t11-,13-/m1/s1
InChIKeyPFSHOGTXTUOQNP-DGCLKSJQSA-N
XLogP1.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-2-carboxamide
CID 91795007
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
CID 91783338
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
1-cyclopropyl-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135093627
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 136587620
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide (CID 91774545) is 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide?
The InChIKey is PFSHOGTXTUOQNP-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-6-8-19-9-11(13)15-14(17)12-3-2-7-16(12)10-4-5-10/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,15,17)/t11-,13-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 91774545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).