(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile

C12H22N2O — CID 15146951

IUPAC(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile
SMILESCCCN(CCC)/C(=C\C#N)C(C)(C)O
InChIInChI=1S/C12H22N2O/c1-5-9-14(10-6-2)11(7-8-13)12(3,4)15/h7,15H,5-6,9-10H2,1-4H3/b11-7-
InChIKeyYLAPBOCTVPAUJV-XFFZJAGNSA-N
MW210.32 g/mol
LogP2.29
Rot. Bonds6

About (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile

(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile (PubChem CID 15146951) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile
PubChem CID15146951
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile
SMILESCCCN(CCC)/C(=C\C#N)C(C)(C)O
InChIInChI=1S/C12H22N2O/c1-5-9-14(10-6-2)11(7-8-13)12(3,4)15/h7,15H,5-6,9-10H2,1-4H3/b11-7-
InChIKeyYLAPBOCTVPAUJV-XFFZJAGNSA-N
XLogP2.29
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile?
The IUPAC name of (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile (CID 15146951) is (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile?
The canonical SMILES for (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile is CCCN(CCC)/C(=C\C#N)C(C)(C)O.
What is the InChIKey of (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile?
The InChIKey is YLAPBOCTVPAUJV-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-9-14(10-6-2)11(7-8-13)12(3,4)15/h7,15H,5-6,9-10H2,1-4H3/b11-7-.
What are the key properties of (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile?
(Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dipropylamino)-4-hydroxy-4-methylpent-2-enenitrile is sourced from PubChem (CID 15146951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).