(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal

C12H15NO — CID 169128641

IUPAC(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
SMILESC=C(C)N[C@H](CC=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,9,12-13H,1,8H2,2H3/t12-/m1/s1
InChIKeyGSLFHILMVFYWKD-GFCCVEGCSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds5

About (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal

(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal (PubChem CID 169128641) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal.

Molecular Properties

Compound Name(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
PubChem CID169128641
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
SMILESC=C(C)N[C@H](CC=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,9,12-13H,1,8H2,2H3/t12-/m1/s1
InChIKeyGSLFHILMVFYWKD-GFCCVEGCSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
1-fluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
CID 174520333
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313
(3R)-3-phenylbutanal
CID 10877278
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(4-methyl-1-phenylpent-3-enyl)benzenecarbothioamide
CID 10990098
(3R)-3-phenylpentanal
CID 12598589
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
2-(2-methylprop-2-enoylamino)-2-phenylethanesulfonic acid
CID 19065609

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal?
The IUPAC name of (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal (CID 169128641) is (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal.
What is the SMILES notation for (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal?
The canonical SMILES for (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal is C=C(C)N[C@H](CC=O)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal?
The InChIKey is GSLFHILMVFYWKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,9,12-13H,1,8H2,2H3/t12-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal?
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal has a molecular weight of 189.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal is sourced from PubChem (CID 169128641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).