(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal

C8H13NO — CID 134850692

IUPAC(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal
SMILESC[C@@H]1CCCN1/C=C/C=O
InChIInChI=1S/C8H13NO/c1-8-4-2-5-9(8)6-3-7-10/h3,6-8H,2,4-5H2,1H3/b6-3+/t8-/m1/s1
InChIKeyHYJSXDQJDZTGKG-GWSCVKMXSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal

(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal (PubChem CID 134850692) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal
PubChem CID134850692
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal
SMILESC[C@@H]1CCCN1/C=C/C=O
InChIInChI=1S/C8H13NO/c1-8-4-2-5-9(8)6-3-7-10/h3,6-8H,2,4-5H2,1H3/b6-3+/t8-/m1/s1
InChIKeyHYJSXDQJDZTGKG-GWSCVKMXSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
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

ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
3-(2-methylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896762
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
CID 134863569
methyl 3-(2-methylazepan-1-yl)prop-2-enoate
CID 79897147
2-(2-methylazepan-1-yl)ethenone
CID 154190225
2,6-dimethylpiperidine-1-carbaldehyde
CID 4643970
N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
CID 145331952
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
(1-formylpyrrolidin-2-yl)boronic acid
CID 143049670
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
CID 170767969
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
CID 173453320

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal?
The IUPAC name of (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal (CID 134850692) is (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal is C[C@@H]1CCCN1/C=C/C=O.
What is the InChIKey of (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal?
The InChIKey is HYJSXDQJDZTGKG-GWSCVKMXSA-N. The full InChI is InChI=1S/C8H13NO/c1-8-4-2-5-9(8)6-3-7-10/h3,6-8H,2,4-5H2,1H3/b6-3+/t8-/m1/s1.
What are the key properties of (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal?
(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal is sourced from PubChem (CID 134850692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).