cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane

C14H27NO — CID 158667287

IUPACcis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane
SMILESC.CC1=NC(C)C(=O)C1.C[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14.C6H9NO.CH4/c1-6-3-4-7(2)5-6;1-4-3-6(8)5(2)7-4;/h6-7H,3-5H2,1-2H3;5H,3H2,1-2H3;1H4/t6-,7+;;
InChIKeyIDNDZVUKFCBJNS-DTQHMAPFSA-N
MW225.38 g/mol
LogP3.89
Rot. Bonds

About cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane

cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane (PubChem CID 158667287) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane
PubChem CID158667287
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Namecis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane
SMILESC.CC1=NC(C)C(=O)C1.C[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14.C6H9NO.CH4/c1-6-3-4-7(2)5-6;1-4-3-6(8)5(2)7-4;/h6-7H,3-5H2,1-2H3;5H,3H2,1-2H3;1H4/t6-,7+;;
InChIKeyIDNDZVUKFCBJNS-DTQHMAPFSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane?
The IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane (CID 158667287) is cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane.
What is the SMILES notation for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane?
The canonical SMILES for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane is C.CC1=NC(C)C(=O)C1.C[C@@H]1CC[C@H](C)C1.
What is the InChIKey of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane?
The InChIKey is IDNDZVUKFCBJNS-DTQHMAPFSA-N. The full InChI is InChI=1S/C7H14.C6H9NO.CH4/c1-6-3-4-7(2)5-6;1-4-3-6(8)5(2)7-4;/h6-7H,3-5H2,1-2H3;5H,3H2,1-2H3;1H4/t6-,7+;;.
What are the key properties of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane?
cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane has a molecular weight of 225.38 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane is sourced from PubChem (CID 158667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).