cyclopropylbenzene;ethane;phenyl carbamate

C18H23NO2 — CID 166076294

IUPACcyclopropylbenzene;ethane;phenyl carbamate
SMILESCC.NC(=O)Oc1ccccc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C7H7NO2.C2H6/c1-2-4-8(5-3-1)9-6-7-9;8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,9H,6-7H2;1-5H,(H2,8,9);1-2H3
InChIKeyZPVBPUOFCLVPSR-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.73
Rot. Bonds2

About cyclopropylbenzene;ethane;phenyl carbamate

cyclopropylbenzene;ethane;phenyl carbamate (PubChem CID 166076294) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is cyclopropylbenzene;ethane;phenyl carbamate.

Molecular Properties

Compound Namecyclopropylbenzene;ethane;phenyl carbamate
PubChem CID166076294
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namecyclopropylbenzene;ethane;phenyl carbamate
SMILESCC.NC(=O)Oc1ccccc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C7H7NO2.C2H6/c1-2-4-8(5-3-1)9-6-7-9;8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,9H,6-7H2;1-5H,(H2,8,9);1-2H3
InChIKeyZPVBPUOFCLVPSR-UHFFFAOYSA-N
XLogP4.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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phenyl carbamate;thiophene
CID 18406692
tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
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ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
aminothiourea;phenyl carbamate
CID 174929265
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(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
diphenyl oxalate;ethane
CID 162013592
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Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;ethane;phenyl carbamate?
The IUPAC name of cyclopropylbenzene;ethane;phenyl carbamate (CID 166076294) is cyclopropylbenzene;ethane;phenyl carbamate.
What is the SMILES notation for cyclopropylbenzene;ethane;phenyl carbamate?
The canonical SMILES for cyclopropylbenzene;ethane;phenyl carbamate is CC.NC(=O)Oc1ccccc1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;ethane;phenyl carbamate?
The InChIKey is ZPVBPUOFCLVPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H7NO2.C2H6/c1-2-4-8(5-3-1)9-6-7-9;8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5,9H,6-7H2;1-5H,(H2,8,9);1-2H3.
What are the key properties of cyclopropylbenzene;ethane;phenyl carbamate?
cyclopropylbenzene;ethane;phenyl carbamate has a molecular weight of 285.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;ethane;phenyl carbamate is sourced from PubChem (CID 166076294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).