cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide

C10H16N2O — CID 7054095

IUPACcis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
SMILESCC1(C)[C@@H](C#N)CC[C@]1(C)C(N)=O
InChIInChI=1S/C10H16N2O/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h7H,4-5H2,1-3H3,(H2,12,13)/t7-,10-/m1/s1
InChIKeyZTXPQUQHJYNXMI-GMSGAONNSA-N
MW180.25 g/mol
LogP1.44
Rot. Bonds1

About cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide

cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide (PubChem CID 7054095) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
PubChem CID7054095
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
SMILESCC1(C)[C@@H](C#N)CC[C@]1(C)C(N)=O
InChIInChI=1S/C10H16N2O/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h7H,4-5H2,1-3H3,(H2,12,13)/t7-,10-/m1/s1
InChIKeyZTXPQUQHJYNXMI-GMSGAONNSA-N
XLogP1.44
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile
CID 143972024
2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide
CID 174496541
trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid;trans-methyl (1R,3S)-3-carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylate
CID 158862340
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
CID 130030129
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
1,2,3,3,4-pentamethylcyclopentane-1,2-dicarboxamide
CID 66867937
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
1-(2-cyanocycloheptyl)-3-methylpyrrolidine-3-carboxamide
CID 114081975
2-formyl-2-methylcyclohexane-1-carbonitrile
CID 134571116
acetic acid;guanidine;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174415589
3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide
CID 67646365
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide (CID 7054095) is cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide is CC1(C)[C@@H](C#N)CC[C@]1(C)C(N)=O.
What is the InChIKey of cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is ZTXPQUQHJYNXMI-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h7H,4-5H2,1-3H3,(H2,12,13)/t7-,10-/m1/s1.
What are the key properties of cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide?
cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 7054095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).