4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol

C18H28N2O — CID 129409144

IUPAC4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol
SMILESCCN(CC)CCCN1CC/C(=C/c2ccc(O)cc2)C1
InChIInChI=1S/C18H28N2O/c1-3-19(4-2)11-5-12-20-13-10-17(15-20)14-16-6-8-18(21)9-7-16/h6-9,14,21H,3-5,10-13,15H2,1-2H3/b17-14-
InChIKeyQHNPJVONJKWGHG-VKAVYKQESA-N
MW288.44 g/mol
LogP3.21
Rot. Bonds7

About 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol

4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol (PubChem CID 129409144) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol
PubChem CID129409144
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol
SMILESCCN(CC)CCCN1CC/C(=C/c2ccc(O)cc2)C1
InChIInChI=1S/C18H28N2O/c1-3-19(4-2)11-5-12-20-13-10-17(15-20)14-16-6-8-18(21)9-7-16/h6-9,14,21H,3-5,10-13,15H2,1-2H3/b17-14-
InChIKeyQHNPJVONJKWGHG-VKAVYKQESA-N
XLogP3.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol (CID 129409144) is 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol is CCN(CC)CCCN1CC/C(=C/c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol?
The InChIKey is QHNPJVONJKWGHG-VKAVYKQESA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19(4-2)11-5-12-20-13-10-17(15-20)14-16-6-8-18(21)9-7-16/h6-9,14,21H,3-5,10-13,15H2,1-2H3/b17-14-.
What are the key properties of 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol?
4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol has a molecular weight of 288.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[1-[3-(diethylamino)propyl]pyrrolidin-3-ylidene]methyl]phenol is sourced from PubChem (CID 129409144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).