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

C16H21N3O — CID 177022974

IUPAC2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol
SMILESCCCCc1c[nH]c(N)c1/C=C(\N)c1ccccc1O
InChIInChI=1S/C16H21N3O/c1-2-3-6-11-10-19-16(18)13(11)9-14(17)12-7-4-5-8-15(12)20/h4-5,7-10,19-20H,2-3,6,17-18H2,1H3/b14-9-
InChIKeyBSNFGAMHOPWRHN-ZROIWOOFSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds5

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

2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol (PubChem CID 177022974) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol
PubChem CID177022974
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol
SMILESCCCCc1c[nH]c(N)c1/C=C(\N)c1ccccc1O
InChIInChI=1S/C16H21N3O/c1-2-3-6-11-10-19-16(18)13(11)9-14(17)12-7-4-5-8-15(12)20/h4-5,7-10,19-20H,2-3,6,17-18H2,1H3/b14-9-
InChIKeyBSNFGAMHOPWRHN-ZROIWOOFSA-N
XLogP3.10
TPSA88.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1-amino-2-(2-amino-4-methyl-1H-pyrrol-3-yl)ethenyl]phenol;N-[(2R)-1-hydroxyhexan-2-yl]-N-methylprop-2-enamide
CID 177023350
3,4-dibutyl-1H-pyrrol-2-amine
CID 91421970
2-[(Z)-1-amino-2-(2-amino-4-chloro-1H-pyrrol-3-yl)ethenyl]phenol;1-pyrrolidin-1-ylprop-2-en-1-one
CID 177023195
2-butylbenzamide
CID 15468173
ethane;hexane;2-hydroxybenzamide
CID 143703157
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
3-butyl-2-ethenylphenol
CID 23312031
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
3-butyl-2-sulfamoylbenzamide
CID 122670193
2-decylphenol;hydrazine
CID 159983030
2-butyl-6-methylphenol;2-methylaniline
CID 70417016

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol (CID 177022974) is 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol is CCCCc1c[nH]c(N)c1/C=C(\N)c1ccccc1O.
What is the InChIKey of 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol?
The InChIKey is BSNFGAMHOPWRHN-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-6-11-10-19-16(18)13(11)9-14(17)12-7-4-5-8-15(12)20/h4-5,7-10,19-20H,2-3,6,17-18H2,1H3/b14-9-.
What are the key properties of 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol?
2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol is sourced from PubChem (CID 177022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).