tert-butyl N-[(E)-but-1-enyl]carbamate

C9H17NO2 — CID 14738324

IUPACtert-butyl N-[(E)-but-1-enyl]carbamate
SMILESCC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+
InChIKeyGQYJVBNOHOFDLB-VOTSOKGWSA-N
MW171.24 g/mol
LogP2.43
Rot. Bonds2

About tert-butyl N-[(E)-but-1-enyl]carbamate

tert-butyl N-[(E)-but-1-enyl]carbamate (PubChem CID 14738324) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl N-[(E)-but-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-but-1-enyl]carbamate
PubChem CID14738324
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl N-[(E)-but-1-enyl]carbamate
SMILESCC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+
InChIKeyGQYJVBNOHOFDLB-VOTSOKGWSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-ethenylcarbamate
CID 251740
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
tert-butyl N-(2-methylbut-3-en-1-yl)carbamate
CID 59650911
(E)-tert-Butyl prop-1-en-1-ylcarbamate
CID 11423724
tert-butyl N-[(E)-pent-1-enyl]carbamate
CID 11469491
(Z)-tert-Butyl prop-1-en-1-ylcarbamate
CID 14333820
Carbamic acid, (2-methyl-1-propenyl)-, 1,1-dimethylethyl ester (9CI)
CID 14738325
1,1-Dimethylethyl N-(1E)-1,3-butadien-1-ylcarbamate
CID 19371457
tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
CID 59837873
tert-butyl N-prop-1-enylcarbamate
CID 71434977
tert-butyl N-(3-methylbut-1-enyl)carbamate
CID 74421847
tert-butyl N-[(Z)-hex-1-enyl]carbamate
CID 102157869

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-but-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-but-1-enyl]carbamate (CID 14738324) is tert-butyl N-[(E)-but-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-but-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-but-1-enyl]carbamate is CC/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-but-1-enyl]carbamate?
The InChIKey is GQYJVBNOHOFDLB-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+.
What are the key properties of tert-butyl N-[(E)-but-1-enyl]carbamate?
tert-butyl N-[(E)-but-1-enyl]carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-but-1-enyl]carbamate is sourced from PubChem (CID 14738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).