pentan-3-yl (Z)-2-methylbut-2-enimidate

C10H19NO — CID 146647586

IUPACpentan-3-yl (Z)-2-methylbut-2-enimidate
SMILES[H]/N=C(OC(CC)CC)/C(C)=C\C
InChIInChI=1S/C10H19NO/c1-5-8(4)10(11)12-9(6-2)7-3/h5,9,11H,6-7H2,1-4H3/b8-5-,11-10-
InChIKeyRQCGORLLZMYHHE-QDKPKGLSSA-N
MW169.27 g/mol
LogP3.14
Rot. Bonds4

About pentan-3-yl (Z)-2-methylbut-2-enimidate

pentan-3-yl (Z)-2-methylbut-2-enimidate (PubChem CID 146647586) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is pentan-3-yl (Z)-2-methylbut-2-enimidate.

Molecular Properties

Compound Namepentan-3-yl (Z)-2-methylbut-2-enimidate
PubChem CID146647586
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namepentan-3-yl (Z)-2-methylbut-2-enimidate
SMILES[H]/N=C(OC(CC)CC)/C(C)=C\C
InChIInChI=1S/C10H19NO/c1-5-8(4)10(11)12-9(6-2)7-3/h5,9,11H,6-7H2,1-4H3/b8-5-,11-10-
InChIKeyRQCGORLLZMYHHE-QDKPKGLSSA-N
XLogP3.14
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentan-3-yl (Z)-2-methylbut-2-enimidate?
The IUPAC name of pentan-3-yl (Z)-2-methylbut-2-enimidate (CID 146647586) is pentan-3-yl (Z)-2-methylbut-2-enimidate.
What is the SMILES notation for pentan-3-yl (Z)-2-methylbut-2-enimidate?
The canonical SMILES for pentan-3-yl (Z)-2-methylbut-2-enimidate is [H]/N=C(OC(CC)CC)/C(C)=C\C.
What is the InChIKey of pentan-3-yl (Z)-2-methylbut-2-enimidate?
The InChIKey is RQCGORLLZMYHHE-QDKPKGLSSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(4)10(11)12-9(6-2)7-3/h5,9,11H,6-7H2,1-4H3/b8-5-,11-10-.
What are the key properties of pentan-3-yl (Z)-2-methylbut-2-enimidate?
pentan-3-yl (Z)-2-methylbut-2-enimidate has a molecular weight of 169.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl (Z)-2-methylbut-2-enimidate is sourced from PubChem (CID 146647586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).