prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate

C11H18N2O4 — CID 11776504

IUPACprop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCOC(=O)NC(CC(=C)C)C(=O)NOC
InChIInChI=1S/C11H18N2O4/c1-5-6-17-11(15)12-9(7-8(2)3)10(14)13-16-4/h5,9H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14)
InChIKeyRPUWFKAWNACEJJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.91
Rot. Bonds7

About prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate

prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate (PubChem CID 11776504) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate
PubChem CID11776504
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameprop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCOC(=O)NC(CC(=C)C)C(=O)NOC
InChIInChI=1S/C11H18N2O4/c1-5-6-17-11(15)12-9(7-8(2)3)10(14)13-16-4/h5,9H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14)
InChIKeyRPUWFKAWNACEJJ-UHFFFAOYSA-N
XLogP0.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[(2S)-4-methyl-1-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 101039093
methyl 2-(carbamoylamino)-4-methylpent-4-enoate
CID 86744408
(2S)-4-hydroxy-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 103845923
methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407232
pent-4-enyl (2R)-2,4-dimethylpent-4-enoate
CID 135013012
methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]hex-5-enoate
CID 90161899
(3S,4R)-4-methyl-3-(prop-2-enoxycarbonylamino)hexanoic acid
CID 166000578
methyl (2S)-3-(4-bromophenyl)-2-(prop-2-enoxycarbonylamino)propanoate
CID 155817769
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
CID 91721396
nonyl 2-(prop-2-enoxycarbonylamino)pentanoate
CID 91722486
dodecyl 2-(prop-2-enoxycarbonylamino)octanoate
CID 91732520
heptadecyl 2-(prop-2-enoxycarbonylamino)hexanoate
CID 91725598

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate (CID 11776504) is prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate is C=CCOC(=O)NC(CC(=C)C)C(=O)NOC.
What is the InChIKey of prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is RPUWFKAWNACEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-6-17-11(15)12-9(7-8(2)3)10(14)13-16-4/h5,9H,1-2,6-7H2,3-4H3,(H,12,15)(H,13,14).
What are the key properties of prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate?
prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 242.27 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 11776504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).