(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C19H25N3O3 — CID 173179608

IUPAC(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESCOCC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1
InChIInChI=1S/C19H25N3O3/c1-25-13-18(8-2-9-18)14-4-6-15(7-5-14)21-12-19(16(20)23)10-3-11-22(19)17(21)24/h4-7H,2-3,8-13H2,1H3,(H2,20,23)/t19-/m1/s1
InChIKeyVLOPXERPOOJXOY-LJQANCHMSA-N
MW343.43 g/mol
LogP2.01
Rot. Bonds5

About (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 173179608) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID173179608
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESCOCC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1
InChIInChI=1S/C19H25N3O3/c1-25-13-18(8-2-9-18)14-4-6-15(7-5-14)21-12-19(16(20)23)10-3-11-22(19)17(21)24/h4-7H,2-3,8-13H2,1H3,(H2,20,23)/t19-/m1/s1
InChIKeyVLOPXERPOOJXOY-LJQANCHMSA-N
XLogP2.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 173179608) is (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is COCC1(c2ccc(N3C[C@@]4(C(N)=O)CCCN4C3=O)cc2)CCC1.
What is the InChIKey of (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is VLOPXERPOOJXOY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-25-13-18(8-2-9-18)14-4-6-15(7-5-14)21-12-19(16(20)23)10-3-11-22(19)17(21)24/h4-7H,2-3,8-13H2,1H3,(H2,20,23)/t19-/m1/s1.
What are the key properties of (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 173179608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).