(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C16H25NO — CID 98086081

IUPAC(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H25NO/c1-11-15(2,3)12-8-9-16(11,10-12)14(18)17-13-6-4-5-7-13/h12-13H,1,4-10H2,2-3H3,(H,17,18)/t12-,16+/m0/s1
InChIKeyLCBDSFMHRUSAEJ-BLLLJJGKSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds2

About (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 98086081) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID98086081
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H25NO/c1-11-15(2,3)12-8-9-16(11,10-12)14(18)17-13-6-4-5-7-13/h12-13H,1,4-10H2,2-3H3,(H,17,18)/t12-,16+/m0/s1
InChIKeyLCBDSFMHRUSAEJ-BLLLJJGKSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
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,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 98086081) is (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC1CCCC1)C2.
What is the InChIKey of (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LCBDSFMHRUSAEJ-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-15(2,3)12-8-9-16(11,10-12)14(18)17-13-6-4-5-7-13/h12-13H,1,4-10H2,2-3H3,(H,17,18)/t12-,16+/m0/s1.
What are the key properties of (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 247.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 98086081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).