(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene

C9H15NO — CID 163857064

IUPAC(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
SMILESCC1=CC[C@H](CN=O)C1(C)C
InChIInChI=1S/C9H15NO/c1-7-4-5-8(6-10-11)9(7,2)3/h4,8H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyOZFBVMVXYKLJAW-MRVPVSSYSA-N
MW153.22 g/mol
LogP2.75
Rot. Bonds2

About (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene

(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene (PubChem CID 163857064) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene.

Molecular Properties

Compound Name(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
PubChem CID163857064
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
SMILESCC1=CC[C@H](CN=O)C1(C)C
InChIInChI=1S/C9H15NO/c1-7-4-5-8(6-10-11)9(7,2)3/h4,8H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyOZFBVMVXYKLJAW-MRVPVSSYSA-N
XLogP2.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene?
The IUPAC name of (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene (CID 163857064) is (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene.
What is the SMILES notation for (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene?
The canonical SMILES for (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene is CC1=CC[C@H](CN=O)C1(C)C.
What is the InChIKey of (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene?
The InChIKey is OZFBVMVXYKLJAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(6-10-11)9(7,2)3/h4,8H,5-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene?
(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene has a molecular weight of 153.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene is sourced from PubChem (CID 163857064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).