tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate

C10H17NO2 — CID 142780147

IUPACtert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate
SMILESC/C=C1/CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3/b8-5-
InChIKeyYBMIBVDQRFYCBT-YVMONPNESA-N
MW183.25 g/mol
LogP2.53
Rot. Bonds

About tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate

tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate (PubChem CID 142780147) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate
PubChem CID142780147
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate
SMILESC/C=C1/CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3/b8-5-
InChIKeyYBMIBVDQRFYCBT-YVMONPNESA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-but-2-ynyl-2H-azete-1-carboxylate
CID 134949571
tert-butyl 4-(2-methylprop-2-enyl)-2H-azete-1-carboxylate
CID 134966751
tert-butyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10489287
Tert-butyl 5-methyl-2,3-dihydropyrrole-1-carboxylate
CID 59764140
Tert-butyl 3-(cyclopropylidenemethyl)azetidine-1-carboxylate
CID 68051361
Tert-butyl 2-ethylideneazetidine-1-carboxylate
CID 91445414
Tert-butyl 3-prop-1-enylazetidine-1-carboxylate
CID 123634141
tert-butyl 3-[(E)-prop-1-enyl]azetidine-1-carboxylate
CID 126552337
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
CID 135171091
tert-butyl (2E)-2-(cyanomethylidene)azetidine-1-carboxylate
CID 141364673
tert-butyl 3-[(E)-prop-1-enyl]azetidine-1-carboxylate;ethane
CID 144473711
tert-butyl 4-(diethylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 145331106

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate (CID 142780147) is tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate is C/C=C1/CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate?
The InChIKey is YBMIBVDQRFYCBT-YVMONPNESA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3/b8-5-.
What are the key properties of tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate?
tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-ethylideneazetidine-1-carboxylate is sourced from PubChem (CID 142780147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).