(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide

C15H27NO — CID 67678251

IUPAC(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C[C@H](C)C[C@@]1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-7-8-12-9-11(2)10-15(12,6)13(17)16-14(3,4)5/h7,11-12H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,15+/m0/s1
InChIKeyQUFWCUQGHCKEHP-SLEUVZQESA-N
MW237.39 g/mol
LogP3.53
Rot. Bonds3

About (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide

(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 67678251) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
PubChem CID67678251
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C[C@H](C)C[C@@]1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO/c1-7-8-12-9-11(2)10-15(12,6)13(17)16-14(3,4)5/h7,11-12H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,15+/m0/s1
InChIKeyQUFWCUQGHCKEHP-SLEUVZQESA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide (CID 67678251) is (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide is C=CC[C@H]1C[C@H](C)C[C@@]1(C)C(=O)NC(C)(C)C.
What is the InChIKey of (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is QUFWCUQGHCKEHP-SLEUVZQESA-N. The full InChI is InChI=1S/C15H27NO/c1-7-8-12-9-11(2)10-15(12,6)13(17)16-14(3,4)5/h7,11-12H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,15+/m0/s1.
What are the key properties of (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 237.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 67678251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).