methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate

C14H23NO4 — CID 11448587

IUPACmethyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
SMILESC=CCCN(C(=O)OC)[C@@H](C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO4/c1-6-8-9-15(13(16)17-5)11(7-2)12-10-18-14(3,4)19-12/h6-7,11-12H,1-2,8-10H2,3-5H3/t11-,12+/m0/s1
InChIKeyCBWWKSSFUVILIY-NWDGAFQWSA-N
MW269.34 g/mol
LogP2.34
Rot. Bonds6

About methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate

methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate (PubChem CID 11448587) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
PubChem CID11448587
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
SMILESC=CCCN(C(=O)OC)[C@@H](C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO4/c1-6-8-9-15(13(16)17-5)11(7-2)12-10-18-14(3,4)19-12/h6-7,11-12H,1-2,8-10H2,3-5H3/t11-,12+/m0/s1
InChIKeyCBWWKSSFUVILIY-NWDGAFQWSA-N
XLogP2.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101551
methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10988424
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 11208719
tert-butyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyrrole-1-carboxylate
CID 11369225
ethyl N-[(2S)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-yl]-N-prop-2-enylcarbamate
CID 16079454
tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 52916323
tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 72751537
methyl N-but-3-enyl-N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]carbamate
CID 72965657
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 101453461
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 122401672

Frequently Asked Questions

What is the IUPAC name of methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate?
The IUPAC name of methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate (CID 11448587) is methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate.
What is the SMILES notation for methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate?
The canonical SMILES for methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate is C=CCCN(C(=O)OC)[C@@H](C=C)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate?
The InChIKey is CBWWKSSFUVILIY-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-8-9-15(13(16)17-5)11(7-2)12-10-18-14(3,4)19-12/h6-7,11-12H,1-2,8-10H2,3-5H3/t11-,12+/m0/s1.
What are the key properties of methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate?
methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate is sourced from PubChem (CID 11448587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).