(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile

C15H26N2 — CID 102044175

IUPAC(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)CCN1CCCC1
InChIInChI=1S/C15H26N2/c1-3-7-14(15(13-16)8-4-2)9-12-17-10-5-6-11-17/h3-12H2,1-2H3/b15-14-
InChIKeyPLMNHCUTMYYKAK-PFONDFGASA-N
MW234.39 g/mol
LogP3.89
Rot. Bonds7

About (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile

(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile (PubChem CID 102044175) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile
PubChem CID102044175
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)CCN1CCCC1
InChIInChI=1S/C15H26N2/c1-3-7-14(15(13-16)8-4-2)9-12-17-10-5-6-11-17/h3-12H2,1-2H3/b15-14-
InChIKeyPLMNHCUTMYYKAK-PFONDFGASA-N
XLogP3.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-Pyrrolidin-1-ylcyclopentene-1-carbonitrile
CID 10397110
2-Pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 10080908
(1Z)-2-pyrrolidin-1-ylcyclooctene-1-carbonitrile
CID 144145426
2-[Di(propan-2-yl)amino]cyclopentene-1-carbonitrile
CID 177734860
2-[Bis(2-methylpropyl)amino]cyclopentene-1-carbonitrile
CID 177739248
5-methyl-2,3,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-6,9-dicarbonitrile
CID 12676705
(Z)-6-(dimethylamino)-2,3-dipropylhex-2-enenitrile
CID 101804054
(Z)-2,3-dipropyl-6-pyrrolidin-1-ylhex-2-enenitrile
CID 101865870
(Z)-4-methyl-2,3-dipropyl-6-pyrrolidin-1-ylhex-2-enenitrile
CID 101865871
(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile
CID 142930352

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile?
The IUPAC name of (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile (CID 102044175) is (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile.
What is the SMILES notation for (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile?
The canonical SMILES for (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile is CCC/C(C#N)=C(\CCC)CCN1CCCC1.
What is the InChIKey of (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile?
The InChIKey is PLMNHCUTMYYKAK-PFONDFGASA-N. The full InChI is InChI=1S/C15H26N2/c1-3-7-14(15(13-16)8-4-2)9-12-17-10-5-6-11-17/h3-12H2,1-2H3/b15-14-.
What are the key properties of (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile?
(Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile has a molecular weight of 234.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propyl-3-(2-pyrrolidin-1-ylethyl)hex-2-enenitrile is sourced from PubChem (CID 102044175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).