N-[(Z)-pent-2-enylidene]ethanimidamide

C7H12N2 — CID 147965285

IUPACN-[(Z)-pent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h4-6,8H,3H2,1-2H3/b5-4-,8-7+,9-6+
InChIKeyIQGUVPKONZRAHD-HPRYQFLYSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About N-[(Z)-pent-2-enylidene]ethanimidamide

N-[(Z)-pent-2-enylidene]ethanimidamide (PubChem CID 147965285) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-pent-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(Z)-pent-2-enylidene]ethanimidamide
PubChem CID147965285
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-pent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h4-6,8H,3H2,1-2H3/b5-4-,8-7+,9-6+
InChIKeyIQGUVPKONZRAHD-HPRYQFLYSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-pent-2-enylidene]ethanimidamide?
The IUPAC name of N-[(Z)-pent-2-enylidene]ethanimidamide (CID 147965285) is N-[(Z)-pent-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[(Z)-pent-2-enylidene]ethanimidamide?
The canonical SMILES for N-[(Z)-pent-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C=C\CC.
What is the InChIKey of N-[(Z)-pent-2-enylidene]ethanimidamide?
The InChIKey is IQGUVPKONZRAHD-HPRYQFLYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-9-7(2)8/h4-6,8H,3H2,1-2H3/b5-4-,8-7+,9-6+.
What are the key properties of N-[(Z)-pent-2-enylidene]ethanimidamide?
N-[(Z)-pent-2-enylidene]ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-2-enylidene]ethanimidamide is sourced from PubChem (CID 147965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).