propan-2-yl N-(3-methylbut-2-enyl)carbamate

C9H17NO2 — CID 106186267

IUPACpropan-2-yl N-(3-methylbut-2-enyl)carbamate
SMILESCC(C)=CCNC(=O)OC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-6-10-9(11)12-8(3)4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyBZDWMNGBEVOSIM-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds3

About propan-2-yl N-(3-methylbut-2-enyl)carbamate

propan-2-yl N-(3-methylbut-2-enyl)carbamate (PubChem CID 106186267) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl N-(3-methylbut-2-enyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-methylbut-2-enyl)carbamate
PubChem CID106186267
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl N-(3-methylbut-2-enyl)carbamate
SMILESCC(C)=CCNC(=O)OC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)5-6-10-9(11)12-8(3)4/h5,8H,6H2,1-4H3,(H,10,11)
InChIKeyBZDWMNGBEVOSIM-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-aminobut-2-en-1-yl)carbamate
CID 18947920
tert-butyl N-(4-(methylamino)but-2-en-1-yl)carbamate
CID 131243568
Carbamic acid, (3-methyl-2-butenyl)-, ethyl ester
CID 13641453
tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate
CID 59533926
tert-butyl N-[(Z)-3-fluorobut-2-enyl]carbamate
CID 90381678
tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate
CID 90381679
tert-butyl N-(3-fluorobut-2-enyl)carbamate
CID 154031240
propan-2-yl N-prop-2-enylcarbamate
CID 240399
Allyl-carbamic acid isobutyl ester
CID 637165
Carbonic acid, monoamide, N-methallyl-, propyl ester
CID 53726062
Carbonic acid, monoamide, N-methallyl-, 2-methylpropyl ester
CID 91706091
propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate
CID 154720373

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-methylbut-2-enyl)carbamate?
The IUPAC name of propan-2-yl N-(3-methylbut-2-enyl)carbamate (CID 106186267) is propan-2-yl N-(3-methylbut-2-enyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-methylbut-2-enyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-methylbut-2-enyl)carbamate is CC(C)=CCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(3-methylbut-2-enyl)carbamate?
The InChIKey is BZDWMNGBEVOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-6-10-9(11)12-8(3)4/h5,8H,6H2,1-4H3,(H,10,11).
What are the key properties of propan-2-yl N-(3-methylbut-2-enyl)carbamate?
propan-2-yl N-(3-methylbut-2-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-methylbut-2-enyl)carbamate is sourced from PubChem (CID 106186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).