[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol

C23H27NO3 — CID 23775749

IUPAC[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(CCC)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C23H27NO3/c1-3-6-17(2)21-12-14-26-23(21)11-8-18(22-7-4-5-13-24-22)15-19-9-10-20(16-25)27-19/h4-5,7,9-10,12-13,15,23,25H,2-3,6,8,11,14,16H2,1H3/b18-15-
InChIKeyDLHXTTIZGKRGLR-SDXDJHTJSA-N
MW365.47 g/mol
LogP5.17
Rot. Bonds9

About [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol

[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol (PubChem CID 23775749) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
PubChem CID23775749
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol
SMILESC=C(CCC)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C23H27NO3/c1-3-6-17(2)21-12-14-26-23(21)11-8-18(22-7-4-5-13-24-22)15-19-9-10-20(16-25)27-19/h4-5,7,9-10,12-13,15,23,25H,2-3,6,8,11,14,16H2,1H3/b18-15-
InChIKeyDLHXTTIZGKRGLR-SDXDJHTJSA-N
XLogP5.17
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The IUPAC name of [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol (CID 23775749) is [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol is C=C(CCC)C1=CCOC1CC/C(=C/c1ccc(CO)o1)c1ccccn1.
What is the InChIKey of [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
The InChIKey is DLHXTTIZGKRGLR-SDXDJHTJSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-6-17(2)21-12-14-26-23(21)11-8-18(22-7-4-5-13-24-22)15-19-9-10-20(16-25)27-19/h4-5,7,9-10,12-13,15,23,25H,2-3,6,8,11,14,16H2,1H3/b18-15-.
What are the key properties of [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol?
[5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol has a molecular weight of 365.47 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)-2-pyridin-2-ylbut-1-enyl]furan-2-yl]methanol is sourced from PubChem (CID 23775749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).