2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate

C16H26N2O4 — CID 155145570

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate
SMILESC=CCC(COC(=O)NC1(C=C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O4/c1-6-8-12(17-13(19)22-15(3,4)5)11-21-14(20)18-16(7-2)9-10-16/h6-7,12H,1-2,8-11H2,3-5H3,(H,17,19)(H,18,20)
InChIKeyIGOQRBBZPZZYNB-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.90
Rot. Bonds7

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate

2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate (PubChem CID 155145570) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate
PubChem CID155145570
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate
SMILESC=CCC(COC(=O)NC1(C=C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O4/c1-6-8-12(17-13(19)22-15(3,4)5)11-21-14(20)18-16(7-2)9-10-16/h6-7,12H,1-2,8-11H2,3-5H3,(H,17,19)(H,18,20)
InChIKeyIGOQRBBZPZZYNB-UHFFFAOYSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate (CID 155145570) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate is C=CCC(COC(=O)NC1(C=C)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate?
The InChIKey is IGOQRBBZPZZYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-8-12(17-13(19)22-15(3,4)5)11-21-14(20)18-16(7-2)9-10-16/h6-7,12H,1-2,8-11H2,3-5H3,(H,17,19)(H,18,20).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate is sourced from PubChem (CID 155145570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).