(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one

C19H26N2O4 — CID 99714523

IUPAC(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1C
InChIInChI=1S/C19H26N2O4/c1-11-17(13(3)22)12(2)20-18(11)19(24)21-8-9-25-10-15(21)14-6-4-5-7-16(14)23/h14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyFAQNHAUKLGXUDM-HUUCEWRRSA-N
MW346.43 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one

(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one (PubChem CID 99714523) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one
PubChem CID99714523
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1C
InChIInChI=1S/C19H26N2O4/c1-11-17(13(3)22)12(2)20-18(11)19(24)21-8-9-25-10-15(21)14-6-4-5-7-16(14)23/h14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyFAQNHAUKLGXUDM-HUUCEWRRSA-N
XLogP2.43
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one (CID 99714523) is (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one is CC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1C.
What is the InChIKey of (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The InChIKey is FAQNHAUKLGXUDM-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11-17(13(3)22)12(2)20-18(11)19(24)21-8-9-25-10-15(21)14-6-4-5-7-16(14)23/h14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one?
(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one has a molecular weight of 346.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one is sourced from PubChem (CID 99714523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).