[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate

C15H27NO2 — CID 101381446

IUPAC[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C(=C/[C@@H]1CC1(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27NO2/c1-10(2)16(11(3)4)14(17)18-12(5)8-13-9-15(13,6)7/h8,10-11,13H,9H2,1-7H3/b12-8-/t13-/m1/s1
InChIKeyQPQWMYZEFSGKNK-LLBKUYECSA-N
MW253.39 g/mol
LogP4.19
Rot. Bonds4

About [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate

[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 101381446) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate
PubChem CID101381446
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C(=C/[C@@H]1CC1(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27NO2/c1-10(2)16(11(3)4)14(17)18-12(5)8-13-9-15(13,6)7/h8,10-11,13H,9H2,1-7H3/b12-8-/t13-/m1/s1
InChIKeyQPQWMYZEFSGKNK-LLBKUYECSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate
CID 177428027
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456
2-(2-fluoroprop-1-enyl)-1,1-dimethylcyclopropane
CID 54075210
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
CID 88596820
(2E)-2-[(2,2-dimethylcyclopropyl)methylidene]-3-methylbutanenitrile
CID 89273892
methyl 2-cyano-3-(2,2-dimethylcyclopropyl)prop-2-enoate
CID 91011632
2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
CID 71378000
tert-butylcarbamothioic S-acid;1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 88764552
[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
CID 118272308
(E)-4-(2,2-difluorocyclopropyl)-3-methylbut-3-en-2-amine
CID 164649181

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate (CID 101381446) is [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate is C/C(=C/[C@@H]1CC1(C)C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is QPQWMYZEFSGKNK-LLBKUYECSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)16(11(3)4)14(17)18-12(5)8-13-9-15(13,6)7/h8,10-11,13H,9H2,1-7H3/b12-8-/t13-/m1/s1.
What are the key properties of [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate?
[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 101381446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).