benzene;phenyl N-cyclopropylcarbamate

C16H17NO2 — CID 171499901

IUPACbenzene;phenyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H11NO2.C6H6/c12-10(11-8-6-7-8)13-9-4-2-1-3-5-9;1-2-4-6-5-3-1/h1-5,8H,6-7H2,(H,11,12);1-6H
InChIKeyMQULDDKQCUQFNI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.62
Rot. Bonds2

About benzene;phenyl N-cyclopropylcarbamate

benzene;phenyl N-cyclopropylcarbamate (PubChem CID 171499901) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzene;phenyl N-cyclopropylcarbamate.

Molecular Properties

Compound Namebenzene;phenyl N-cyclopropylcarbamate
PubChem CID171499901
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzene;phenyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H11NO2.C6H6/c12-10(11-8-6-7-8)13-9-4-2-1-3-5-9;1-2-4-6-5-3-1/h1-5,8H,6-7H2,(H,11,12);1-6H
InChIKeyMQULDDKQCUQFNI-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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phenyl N-cyclooctylcarbamate
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phenyl N-(oxan-4-yl)carbamate
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phenyl N-(3,4-dimethylcyclohexyl)carbamate
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phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
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phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565830
[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
CID 174753311
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
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phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzene;phenyl N-cyclopropylcarbamate?
The IUPAC name of benzene;phenyl N-cyclopropylcarbamate (CID 171499901) is benzene;phenyl N-cyclopropylcarbamate.
What is the SMILES notation for benzene;phenyl N-cyclopropylcarbamate?
The canonical SMILES for benzene;phenyl N-cyclopropylcarbamate is O=C(NC1CC1)Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;phenyl N-cyclopropylcarbamate?
The InChIKey is MQULDDKQCUQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C6H6/c12-10(11-8-6-7-8)13-9-4-2-1-3-5-9;1-2-4-6-5-3-1/h1-5,8H,6-7H2,(H,11,12);1-6H.
What are the key properties of benzene;phenyl N-cyclopropylcarbamate?
benzene;phenyl N-cyclopropylcarbamate has a molecular weight of 255.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;phenyl N-cyclopropylcarbamate is sourced from PubChem (CID 171499901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).