(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal

C11H12BrNO — CID 13079816

IUPAC(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-8H,1-2H3/b10-7+
InChIKeyNARILRBZOTXTRZ-JXMROGBWSA-N
MW254.13 g/mol
LogP2.55
Rot. Bonds3

About (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal

(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal (PubChem CID 13079816) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
PubChem CID13079816
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-8H,1-2H3/b10-7+
InChIKeyNARILRBZOTXTRZ-JXMROGBWSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.55
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-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
CID 12523502
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-bromophenyl)-3-ethoxyprop-2-enal
CID 88721032
(E)-2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 22317021
(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
CID 174942428
(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine
CID 145165497
(E)-3-(4-bromophenyl)-3-chloro-2-methylprop-2-enal
CID 20836205
bromobenzene;N,N-dimethylformamide
CID 88804886
2-[4-(4-bromophenyl)phenyl]-2-oxoacetaldehyde
CID 39233469
4-bromo-N,N-dimethylbenzenecarbotelluroamide
CID 86022368
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal?
The IUPAC name of (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal (CID 13079816) is (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal?
The InChIKey is NARILRBZOTXTRZ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-8H,1-2H3/b10-7+.
What are the key properties of (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal?
(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal has a molecular weight of 254.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 13079816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).