nonan-2-yl carbamate

C10H21NO2 — CID 19093303

IUPACnonan-2-yl carbamate
SMILESCCCCCCCC(C)OC(N)=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-8-9(2)13-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyOGOWFECIBJQSRR-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.83
Rot. Bonds7

About nonan-2-yl carbamate

nonan-2-yl carbamate (PubChem CID 19093303) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is nonan-2-yl carbamate.

Molecular Properties

Compound Namenonan-2-yl carbamate
PubChem CID19093303
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namenonan-2-yl carbamate
SMILESCCCCCCCC(C)OC(N)=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-8-9(2)13-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyOGOWFECIBJQSRR-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecan-2-yl carbamate
CID 87166225
decan-2-yl 2-hydroxypropanoate
CID 118918104
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
pentacosan-2-yl acetate
CID 173416941
heptadecan-2-yl hydrogen carbonate
CID 87300493
hexadecan-2-yl propanoate
CID 154494346
[(2R)-octan-2-yl] carbonofluoridate
CID 135080787
[(2S)-dodecan-2-yl] propanoate
CID 162853259
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
heptadecan-2-yl tetradecanoate
CID 54293612

Frequently Asked Questions

What is the IUPAC name of nonan-2-yl carbamate?
The IUPAC name of nonan-2-yl carbamate (CID 19093303) is nonan-2-yl carbamate.
What is the SMILES notation for nonan-2-yl carbamate?
The canonical SMILES for nonan-2-yl carbamate is CCCCCCCC(C)OC(N)=O.
What is the InChIKey of nonan-2-yl carbamate?
The InChIKey is OGOWFECIBJQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-9(2)13-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of nonan-2-yl carbamate?
nonan-2-yl carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-yl carbamate is sourced from PubChem (CID 19093303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).