2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol

C16H19N3O2 — CID 177023028

IUPAC2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol
SMILESN/C(=C\c1c(C2CCCO2)c[nH]c1N)c1ccccc1O
InChIInChI=1S/C16H19N3O2/c17-13(10-4-1-2-5-14(10)20)8-11-12(9-19-16(11)18)15-6-3-7-21-15/h1-2,4-5,8-9,15,19-20H,3,6-7,17-18H2/b13-8-
InChIKeyWLTUJVVUYJLBHC-JYRVWZFOSA-N
MW285.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol (PubChem CID 177023028) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol
PubChem CID177023028
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol
SMILESN/C(=C\c1c(C2CCCO2)c[nH]c1N)c1ccccc1O
InChIInChI=1S/C16H19N3O2/c17-13(10-4-1-2-5-14(10)20)8-11-12(9-19-16(11)18)15-6-3-7-21-15/h1-2,4-5,8-9,15,19-20H,3,6-7,17-18H2/b13-8-
InChIKeyWLTUJVVUYJLBHC-JYRVWZFOSA-N
XLogP2.61
TPSA97.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol
CID 177022974
2-[(Z)-1-amino-2-(2-amino-4-methyl-1H-pyrrol-3-yl)ethenyl]phenol;but-3-en-2-one;ethane;methylcyclobutane;N-methylmethanamine;oxane
CID 177024033
2-[(Z)-1-amino-2-(2-amino-4-methyl-1H-pyrrol-3-yl)ethenyl]phenol;(E)-4-(dimethylamino)-N-methyl-N-[(3S)-oxepan-3-yl]but-2-enamide
CID 177023176
2-[(2R)-oxan-2-yl]phenol
CID 92978074
1-[3-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-3-chloro-1H-pyrrol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one;methanol
CID 177022895
[2-(oxolan-2-yl)phenyl]methanol
CID 156806092
3-(oxan-2-yl)-1H-indole
CID 174577844
4-hydroxy-3-(oxolan-2-yl)benzaldehyde
CID 91664714
2-[(Z)-1-amino-2-[2-amino-4-(difluoromethyl)-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
CID 170613821
2-[(Z)-1-amino-2-(2-amino-4-methyl-5-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166459136
[2-(oxan-2-yl)phenyl] methanesulfonate
CID 166653039
4-[5-amino-4-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1H-pyrrol-2-yl]piperidine-1-carbaldehyde;prop-1-ene
CID 177022871

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol (CID 177023028) is 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol is N/C(=C\c1c(C2CCCO2)c[nH]c1N)c1ccccc1O.
What is the InChIKey of 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol?
The InChIKey is WLTUJVVUYJLBHC-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-13(10-4-1-2-5-14(10)20)8-11-12(9-19-16(11)18)15-6-3-7-21-15/h1-2,4-5,8-9,15,19-20H,3,6-7,17-18H2/b13-8-.
What are the key properties of 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol has a molecular weight of 285.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[2-amino-4-(oxolan-2-yl)-1H-pyrrol-3-yl]ethenyl]phenol is sourced from PubChem (CID 177023028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).