N-(2-prop-1-enyliminoethylidene)ethanimidamide

C7H11N3 — CID 123367124

IUPACN-(2-prop-1-enyliminoethylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C=N/C=CC
InChIInChI=1S/C7H11N3/c1-3-4-9-5-6-10-7(2)8/h3-6,8H,1-2H3/b4-3?,8-7+,9-5+,10-6+
InChIKeyZJQXUWAQKCBDOG-HDXMLBHGSA-N
MW137.19 g/mol
LogP1.66
Rot. Bonds2

About N-(2-prop-1-enyliminoethylidene)ethanimidamide

N-(2-prop-1-enyliminoethylidene)ethanimidamide (PubChem CID 123367124) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-(2-prop-1-enyliminoethylidene)ethanimidamide.

Molecular Properties

Compound NameN-(2-prop-1-enyliminoethylidene)ethanimidamide
PubChem CID123367124
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-(2-prop-1-enyliminoethylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C=N/C=CC
InChIInChI=1S/C7H11N3/c1-3-4-9-5-6-10-7(2)8/h3-6,8H,1-2H3/b4-3?,8-7+,9-5+,10-6+
InChIKeyZJQXUWAQKCBDOG-HDXMLBHGSA-N
XLogP1.66
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.66
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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Related Compounds

1,4-Diazepin-5-imine
CID 22617754
1-[(Z)-prop-1-enyl]pyrazin-2-imine
CID 88581658
N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 88586058
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 88925224
2-[(Z)-3-iminoprop-1-enyl]guanidine
CID 88943126
2-(Prop-2-enylideneamino)ethene-1,1-diamine
CID 89293829
N-[(Z)-but-2-enylidene]ethanimidamide
CID 89697914
N-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
N-prop-2-enylideneethanimidamide
CID 91263014
N'-ethylideneprop-2-ene-1,3-diimine
CID 91469130
N'-prop-1-enylethanimidamide
CID 91572232

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-enyliminoethylidene)ethanimidamide?
The IUPAC name of N-(2-prop-1-enyliminoethylidene)ethanimidamide (CID 123367124) is N-(2-prop-1-enyliminoethylidene)ethanimidamide.
What is the SMILES notation for N-(2-prop-1-enyliminoethylidene)ethanimidamide?
The canonical SMILES for N-(2-prop-1-enyliminoethylidene)ethanimidamide is [H]/N=C(C)/N=C/C=N/C=CC.
What is the InChIKey of N-(2-prop-1-enyliminoethylidene)ethanimidamide?
The InChIKey is ZJQXUWAQKCBDOG-HDXMLBHGSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-4-9-5-6-10-7(2)8/h3-6,8H,1-2H3/b4-3?,8-7+,9-5+,10-6+.
What are the key properties of N-(2-prop-1-enyliminoethylidene)ethanimidamide?
N-(2-prop-1-enyliminoethylidene)ethanimidamide has a molecular weight of 137.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-enyliminoethylidene)ethanimidamide is sourced from PubChem (CID 123367124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).