(Z)-N-(oxan-2-yl)pent-3-en-2-imine

C10H17NO — CID 123477461

IUPAC(Z)-N-(oxan-2-yl)pent-3-en-2-imine
SMILESC/C=C\C(C)=NC1CCCCO1
InChIInChI=1S/C10H17NO/c1-3-6-9(2)11-10-7-4-5-8-12-10/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-,11-9?
InChIKeyOTRKDBCTIKCSBR-ZVFLHEHDSA-N
MW167.25 g/mol
LogP2.55
Rot. Bonds2

About (Z)-N-(oxan-2-yl)pent-3-en-2-imine

(Z)-N-(oxan-2-yl)pent-3-en-2-imine (PubChem CID 123477461) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-N-(oxan-2-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(oxan-2-yl)pent-3-en-2-imine
PubChem CID123477461
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-N-(oxan-2-yl)pent-3-en-2-imine
SMILESC/C=C\C(C)=NC1CCCCO1
InChIInChI=1S/C10H17NO/c1-3-6-9(2)11-10-7-4-5-8-12-10/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-,11-9?
InChIKeyOTRKDBCTIKCSBR-ZVFLHEHDSA-N
XLogP2.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal
CID 91333415
2-[(E)-prop-1-enoxy]oxane
CID 12835881
oxan-2-ylmethyl (4E)-hexa-2,4-dienoate
CID 78788988
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
2-but-2-en-2-yloxolane
CID 69493710
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol
CID 143638808
1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine
CID 154006948
CID 59102179
CID 59102179
CID 168919655
CID 168919655
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
2-[(E)-prop-1-enyl]oxolane
CID 12508233

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(oxan-2-yl)pent-3-en-2-imine?
The IUPAC name of (Z)-N-(oxan-2-yl)pent-3-en-2-imine (CID 123477461) is (Z)-N-(oxan-2-yl)pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-(oxan-2-yl)pent-3-en-2-imine?
The canonical SMILES for (Z)-N-(oxan-2-yl)pent-3-en-2-imine is C/C=C\C(C)=NC1CCCCO1.
What is the InChIKey of (Z)-N-(oxan-2-yl)pent-3-en-2-imine?
The InChIKey is OTRKDBCTIKCSBR-ZVFLHEHDSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-9(2)11-10-7-4-5-8-12-10/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-,11-9?.
What are the key properties of (Z)-N-(oxan-2-yl)pent-3-en-2-imine?
(Z)-N-(oxan-2-yl)pent-3-en-2-imine has a molecular weight of 167.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(oxan-2-yl)pent-3-en-2-imine is sourced from PubChem (CID 123477461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).