tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate

C13H23NO2 — CID 170129188

IUPACtert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
SMILESCC(CC1=CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-10(9-11-7-5-6-8-11)14-12(15)16-13(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,14,15)
InChIKeyACTGYLSKFPDGAU-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate

tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate (PubChem CID 170129188) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
PubChem CID170129188
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
SMILESCC(CC1=CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-10(9-11-7-5-6-8-11)14-12(15)16-13(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,14,15)
InChIKeyACTGYLSKFPDGAU-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.40
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

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tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate
CID 117275054
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tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
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2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
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tert-butyl N-[2-[2-(cyclohexen-1-yl)ethylamino]ethyl]carbamate
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[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
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tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate (CID 170129188) is tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate is CC(CC1=CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate?
The InChIKey is ACTGYLSKFPDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(9-11-7-5-6-8-11)14-12(15)16-13(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 170129188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).