butane;phenyl carbamate

C11H17NO2 — CID 145076324

IUPACbutane;phenyl carbamate
SMILESCCCC.NC(=O)Oc1ccccc1
InChIInChI=1S/C7H7NO2.C4H10/c8-7(9)10-6-4-2-1-3-5-6;1-3-4-2/h1-5H,(H2,8,9);3-4H2,1-2H3
InChIKeyFYLZWOWEHOTRMN-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.95
Rot. Bonds2

About butane;phenyl carbamate

butane;phenyl carbamate (PubChem CID 145076324) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is butane;phenyl carbamate.

Molecular Properties

Compound Namebutane;phenyl carbamate
PubChem CID145076324
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namebutane;phenyl carbamate
SMILESCCCC.NC(=O)Oc1ccccc1
InChIInChI=1S/C7H7NO2.C4H10/c8-7(9)10-6-4-2-1-3-5-6;1-3-4-2/h1-5H,(H2,8,9);3-4H2,1-2H3
InChIKeyFYLZWOWEHOTRMN-UHFFFAOYSA-N
XLogP2.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;phenyl carbamate?
The IUPAC name of butane;phenyl carbamate (CID 145076324) is butane;phenyl carbamate.
What is the SMILES notation for butane;phenyl carbamate?
The canonical SMILES for butane;phenyl carbamate is CCCC.NC(=O)Oc1ccccc1.
What is the InChIKey of butane;phenyl carbamate?
The InChIKey is FYLZWOWEHOTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H10/c8-7(9)10-6-4-2-1-3-5-6;1-3-4-2/h1-5H,(H2,8,9);3-4H2,1-2H3.
What are the key properties of butane;phenyl carbamate?
butane;phenyl carbamate has a molecular weight of 195.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phenyl carbamate is sourced from PubChem (CID 145076324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).