(2S)-2-aminopent-4-enal

C5H9NO — CID 160694428

IUPAC(2S)-2-aminopent-4-enal
SMILESC=CC[C@H](N)C=O
InChIInChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4-5H,1,3,6H2/t5-/m0/s1
InChIKeyDFYOJOKZBAZMGP-YFKPBYRVSA-N
MW99.13 g/mol
LogP0.09
Rot. Bonds3

About (2S)-2-aminopent-4-enal

(2S)-2-aminopent-4-enal (PubChem CID 160694428) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (2S)-2-aminopent-4-enal.

Molecular Properties

Compound Name(2S)-2-aminopent-4-enal
PubChem CID160694428
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(2S)-2-aminopent-4-enal
SMILESC=CC[C@H](N)C=O
InChIInChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4-5H,1,3,6H2/t5-/m0/s1
InChIKeyDFYOJOKZBAZMGP-YFKPBYRVSA-N
XLogP0.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(Z)-2-aminooct-4-enal
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hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
(2R)-2-propan-2-ylpent-4-enal
CID 44521428
1-aminobut-3-enyl-hydroxy-oxophosphanium
CID 55289122
(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine
CID 100988531
2-amino-4-bromobutanal
CID 91331444
pent-4-ene-1,2-diamine;silane
CID 174886622
(2R)-2-amino-3-methylsulfanylpropanal
CID 56634175
3-aminohex-5-enoic acid
CID 22142027
(2R)-2-amino-3-(2-aminoethylsulfanyl)propanal
CID 18645547
(3R)-3-amino-4-oxobutanamide;ethene;methane
CID 158060763

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopent-4-enal?
The IUPAC name of (2S)-2-aminopent-4-enal (CID 160694428) is (2S)-2-aminopent-4-enal.
What is the SMILES notation for (2S)-2-aminopent-4-enal?
The canonical SMILES for (2S)-2-aminopent-4-enal is C=CC[C@H](N)C=O.
What is the InChIKey of (2S)-2-aminopent-4-enal?
The InChIKey is DFYOJOKZBAZMGP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4-5H,1,3,6H2/t5-/m0/s1.
What are the key properties of (2S)-2-aminopent-4-enal?
(2S)-2-aminopent-4-enal has a molecular weight of 99.13 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopent-4-enal is sourced from PubChem (CID 160694428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).