nitrosocycloheptane

C7H13NO — CID 54252877

IUPACnitrosocycloheptane
SMILESO=NC1CCCCCC1
InChIInChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyXFSGCVZOMZYKKU-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.48
Rot. Bonds1

About nitrosocycloheptane

nitrosocycloheptane (PubChem CID 54252877) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is nitrosocycloheptane.

Molecular Properties

Compound Namenitrosocycloheptane
PubChem CID54252877
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namenitrosocycloheptane
SMILESO=NC1CCCCCC1
InChIInChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyXFSGCVZOMZYKKU-UHFFFAOYSA-N
XLogP2.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-4-nitrosocycloheptan-1-ol
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thionitrosocyclohexane
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CID 174956509
N,N'-dicyclohexylmethanediimine;isocyanic acid
CID 87197010
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CID 19801404
N'-cycloundecylmethanediimine
CID 166908646
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
nitrosomethylcyclotetracontane
CID 146552896

Frequently Asked Questions

What is the IUPAC name of nitrosocycloheptane?
The IUPAC name of nitrosocycloheptane (CID 54252877) is nitrosocycloheptane.
What is the SMILES notation for nitrosocycloheptane?
The canonical SMILES for nitrosocycloheptane is O=NC1CCCCCC1.
What is the InChIKey of nitrosocycloheptane?
The InChIKey is XFSGCVZOMZYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h7H,1-6H2.
What are the key properties of nitrosocycloheptane?
nitrosocycloheptane has a molecular weight of 127.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosocycloheptane is sourced from PubChem (CID 54252877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).