(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal

C7H13NO3 — CID 88840197

IUPAC(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal
SMILESCN(C)/C=C(/C=O)OCCO
InChIInChI=1S/C7H13NO3/c1-8(2)5-7(6-10)11-4-3-9/h5-6,9H,3-4H2,1-2H3/b7-5-
InChIKeyVCRDCCUASWNMQJ-ALCCZGGFSA-N
MW159.19 g/mol
LogP-0.40
Rot. Bonds5

About (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal

(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal (PubChem CID 88840197) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal
PubChem CID88840197
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal
SMILESCN(C)/C=C(/C=O)OCCO
InChIInChI=1S/C7H13NO3/c1-8(2)5-7(6-10)11-4-3-9/h5-6,9H,3-4H2,1-2H3/b7-5-
InChIKeyVCRDCCUASWNMQJ-ALCCZGGFSA-N
XLogP-0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-2-(2-methoxyethoxy)prop-2-enal
CID 86171978
(E)-2-butoxy-3-(dimethylamino)prop-2-enal
CID 88975144
3-(dimethylamino)-2-methoxyprop-2-enal
CID 29417541
(Z)-3-(dimethylamino)-2-methoxyprop-2-enal
CID 13018403
2-aminoethanol;N,N-dimethylformamide
CID 88603613
N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
CID 161005171
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
CID 174799065
4-O-(2,2-dimethylpropyl) 1-O-(2-hydroxyethyl) (Z)-but-2-enedioate
CID 88604721
2-chloro-2-(2-hydroxyethoxy)propanal
CID 141321956

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal?
The IUPAC name of (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal (CID 88840197) is (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal is CN(C)/C=C(/C=O)OCCO.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal?
The InChIKey is VCRDCCUASWNMQJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(2)5-7(6-10)11-4-3-9/h5-6,9H,3-4H2,1-2H3/b7-5-.
What are the key properties of (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal?
(Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal has a molecular weight of 159.19 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(2-hydroxyethoxy)prop-2-enal is sourced from PubChem (CID 88840197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).