N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine

C10H17N3 — CID 143787009

IUPACN-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine
SMILESC=N/C(C)=C\N=C(/C)N1CCCC1
InChIInChI=1S/C10H17N3/c1-9(11-3)8-12-10(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3/b9-8-,12-10+
InChIKeyKPXSDFPESRUOKP-LVQHWDRTSA-N
MW179.27 g/mol
LogP2.06
Rot. Bonds2

About N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine

N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine (PubChem CID 143787009) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine
PubChem CID143787009
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine
SMILESC=N/C(C)=C\N=C(/C)N1CCCC1
InChIInChI=1S/C10H17N3/c1-9(11-3)8-12-10(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3/b9-8-,12-10+
InChIKeyKPXSDFPESRUOKP-LVQHWDRTSA-N
XLogP2.06
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
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 N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine?
The IUPAC name of N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine (CID 143787009) is N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine is C=N/C(C)=C\N=C(/C)N1CCCC1.
What is the InChIKey of N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine?
The InChIKey is KPXSDFPESRUOKP-LVQHWDRTSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(11-3)8-12-10(2)13-6-4-5-7-13/h8H,3-7H2,1-2H3/b9-8-,12-10+.
What are the key properties of N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine?
N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine has a molecular weight of 179.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(methylideneamino)prop-1-enyl]-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 143787009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).