4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol

C17H31NO — CID 167214357

IUPAC4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol
SMILESCC/C=C\C1=C(C)NC(C)(O)C1CC(C)C(C)(C)C
InChIInChI=1S/C17H31NO/c1-8-9-10-14-13(3)18-17(7,19)15(14)11-12(2)16(4,5)6/h9-10,12,15,18-19H,8,11H2,1-7H3/b10-9-
InChIKeyYVJVBIMNWHMHGX-KTKRTIGZSA-N
MW265.44 g/mol
LogP4.23
Rot. Bonds4

About 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol

4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol (PubChem CID 167214357) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol
PubChem CID167214357
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol
SMILESCC/C=C\C1=C(C)NC(C)(O)C1CC(C)C(C)(C)C
InChIInChI=1S/C17H31NO/c1-8-9-10-14-13(3)18-17(7,19)15(14)11-12(2)16(4,5)6/h9-10,12,15,18-19H,8,11H2,1-7H3/b10-9-
InChIKeyYVJVBIMNWHMHGX-KTKRTIGZSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol with MolForge

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Related Compounds

6-[(E)-but-1-enyl]-2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-azepine
CID 156727257
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
(Z,3S)-2,2-dimethyloct-5-en-3-ol
CID 158993926
(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 102396972
6-deuterio-6-methylhept-3-ene;2,2-dimethylpropane
CID 159586775
5-[(E)-but-1-enyl]-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6434959
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
10-methylundeca-3,7-diene
CID 91333064
(E)-2-(methylamino)hex-3-en-2-ol
CID 152934971
3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
CID 143693552
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
2-ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol?
The IUPAC name of 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol (CID 167214357) is 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol is CC/C=C\C1=C(C)NC(C)(O)C1CC(C)C(C)(C)C.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol?
The InChIKey is YVJVBIMNWHMHGX-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H31NO/c1-8-9-10-14-13(3)18-17(7,19)15(14)11-12(2)16(4,5)6/h9-10,12,15,18-19H,8,11H2,1-7H3/b10-9-.
What are the key properties of 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol?
4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol has a molecular weight of 265.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-2,5-dimethyl-3-(2,3,3-trimethylbutyl)-1,3-dihydropyrrol-2-ol is sourced from PubChem (CID 167214357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).