but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

C14H24N2O3 — CID 123803320

IUPACbut-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCC=C(C)OC(=O)NC(C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C14H24N2O3/c1-5-11(4)19-14(18)15-12(10(2)3)13(17)16-8-6-7-9-16/h5,10,12H,6-9H2,1-4H3,(H,15,18)
InChIKeyYWZQAHIJTNUCBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.28
Rot. Bonds4

About but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (PubChem CID 123803320) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Namebut-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
PubChem CID123803320
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namebut-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCC=C(C)OC(=O)NC(C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C14H24N2O3/c1-5-11(4)19-14(18)15-12(10(2)3)13(17)16-8-6-7-9-16/h5,10,12H,6-9H2,1-4H3,(H,15,18)
InChIKeyYWZQAHIJTNUCBY-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620
(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
CID 15138122
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
CID 110348621
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052
tert-butyl N-[(2S)-1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 26384928
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutan-2-yl] acetate
CID 121304116
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
ethyl N-[(2R)-3-methyl-1-oxo-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-yl]carbamate
CID 95977915
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The IUPAC name of but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (CID 123803320) is but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.
What is the SMILES notation for but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The canonical SMILES for but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is CC=C(C)OC(=O)NC(C(=O)N1CCCC1)C(C)C.
What is the InChIKey of but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The InChIKey is YWZQAHIJTNUCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-11(4)19-14(18)15-12(10(2)3)13(17)16-8-6-7-9-16/h5,10,12H,6-9H2,1-4H3,(H,15,18).
What are the key properties of but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 123803320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).