(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal

C15H21NO — CID 82115878

IUPAC(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-11H,1-5H3/b13-10+
InChIKeyWKWPVWVUJZXBPP-JLHYYAGUSA-N
MW231.34 g/mol
LogP3.09
Rot. Bonds3

About (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal

(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal (PubChem CID 82115878) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal
PubChem CID82115878
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-11H,1-5H3/b13-10+
InChIKeyWKWPVWVUJZXBPP-JLHYYAGUSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
CID 13079816
2-[4-[(Z)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]phenoxy]acetic acid
CID 20610453
2-[4-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]phenoxy]acetic acid
CID 59977421
(E)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enenitrile
CID 163353821
[(E)-3-(dimethylamino)-2-[4-[tris[4-[(E)-1-(dimethylamino)-3-dimethylazaniumylideneprop-1-en-2-yl]phenyl]methyl]phenyl]prop-2-enylidene]-dimethylazanium tetraperchlorate
CID 10534393
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 2760760
(E)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 2778980
1-tert-butyl-4-(1-diazoethyl)benzene
CID 102470296

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal?
The IUPAC name of (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal (CID 82115878) is (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal?
The InChIKey is WKWPVWVUJZXBPP-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-11H,1-5H3/b13-10+.
What are the key properties of (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal?
(Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal has a molecular weight of 231.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-tert-butylphenyl)-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 82115878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).