N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide

C11H17N3O2 — CID 2844381

IUPACN'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)NN=C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-2-7-12-10(15)8-11(16)14-13-9-5-3-4-6-9/h2H,1,3-8H2,(H,12,15)(H,14,16)
InChIKeyFTZGASAXAPAMSQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds5

About N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide

N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide (PubChem CID 2844381) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide
PubChem CID2844381
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)NN=C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-2-7-12-10(15)8-11(16)14-13-9-5-3-4-6-9/h2H,1,3-8H2,(H,12,15)(H,14,16)
InChIKeyFTZGASAXAPAMSQ-UHFFFAOYSA-N
XLogP0.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide?
The IUPAC name of N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide (CID 2844381) is N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)NN=C1CCCC1.
What is the InChIKey of N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide?
The InChIKey is FTZGASAXAPAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-7-12-10(15)8-11(16)14-13-9-5-3-4-6-9/h2H,1,3-8H2,(H,12,15)(H,14,16).
What are the key properties of N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide?
N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide has a molecular weight of 223.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylideneamino)-N-prop-2-enylpropanediamide is sourced from PubChem (CID 2844381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).