N-[(2R)-1-aminopropan-2-yl]pent-4-enamide

C8H16N2O — CID 104872907

IUPACN-[(2R)-1-aminopropan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](C)CN
InChIInChI=1S/C8H16N2O/c1-3-4-5-8(11)10-7(2)6-9/h3,7H,1,4-6,9H2,2H3,(H,10,11)/t7-/m1/s1
InChIKeyMGCBZWGVOOEJQJ-SSDOTTSWSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds5

About N-[(2R)-1-aminopropan-2-yl]pent-4-enamide

N-[(2R)-1-aminopropan-2-yl]pent-4-enamide (PubChem CID 104872907) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]pent-4-enamide
PubChem CID104872907
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(2R)-1-aminopropan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](C)CN
InChIInChI=1S/C8H16N2O/c1-3-4-5-8(11)10-7(2)6-9/h3,7H,1,4-6,9H2,2H3,(H,10,11)/t7-/m1/s1
InChIKeyMGCBZWGVOOEJQJ-SSDOTTSWSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(pent-4-enoylamino)butanoic acid
CID 62683470
[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
CID 6709762
N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
CID 120506402
[(2S)-2-(pent-4-enoylamino)propyl] (2R)-2-methylpent-4-enoate
CID 118867085
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
N-heptan-2-ylhept-6-enamide
CID 166754138
(2S,3R)-3-methyl-2-(pent-4-enoylamino)pentanoic acid
CID 94547326
[(2S)-3-methyl-2-(pent-4-enoylamino)pentyl] pent-4-enoate
CID 101078959
[3-methyl-2-(pent-4-enoylamino)butyl] hex-5-enoate
CID 134886921

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]pent-4-enamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]pent-4-enamide (CID 104872907) is N-[(2R)-1-aminopropan-2-yl]pent-4-enamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]pent-4-enamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]pent-4-enamide is C=CCCC(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]pent-4-enamide?
The InChIKey is MGCBZWGVOOEJQJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-8(11)10-7(2)6-9/h3,7H,1,4-6,9H2,2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]pent-4-enamide?
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]pent-4-enamide is sourced from PubChem (CID 104872907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).