1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

C17H27N3O2 — CID 97026280

IUPAC1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1N1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)17(13-18)5-3-4-6-17/h14-15H,2-12H2,1H3/t14-,15+/m0/s1
InChIKeyHKXZSQJNXJNCQH-LSDHHAIUSA-N
MW305.42 g/mol
LogP1.64
Rot. Bonds3

About 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 97026280) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID97026280
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1N1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)17(13-18)5-3-4-6-17/h14-15H,2-12H2,1H3/t14-,15+/m0/s1
InChIKeyHKXZSQJNXJNCQH-LSDHHAIUSA-N
XLogP1.64
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 97026280) is 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is CC[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1N1CCOCC1.
What is the InChIKey of 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is HKXZSQJNXJNCQH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)17(13-18)5-3-4-6-17/h14-15H,2-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 305.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 97026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).