N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine

C13H24N4O2 — CID 143394738

IUPACN-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine
SMILESC1CCNC1.C=CCN(C=O)NC(=O)C1CCCN1
InChIInChI=1S/C9H15N3O2.C4H9N/c1-2-6-12(7-13)11-9(14)8-4-3-5-10-8;1-2-4-5-3-1/h2,7-8,10H,1,3-6H2,(H,11,14);5H,1-4H2
InChIKeyBAQMBACLTZMHSM-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.22
Rot. Bonds5

About N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine

N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine (PubChem CID 143394738) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine
PubChem CID143394738
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine
SMILESC1CCNC1.C=CCN(C=O)NC(=O)C1CCCN1
InChIInChI=1S/C9H15N3O2.C4H9N/c1-2-6-12(7-13)11-9(14)8-4-3-5-10-8;1-2-4-5-3-1/h2,7-8,10H,1,3-6H2,(H,11,14);5H,1-4H2
InChIKeyBAQMBACLTZMHSM-UHFFFAOYSA-N
XLogP-0.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-Prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 123595429
N-methyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine
CID 143394746
N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide
CID 143394739

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine?
The IUPAC name of N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine (CID 143394738) is N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine.
What is the SMILES notation for N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine?
The canonical SMILES for N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine is C1CCNC1.C=CCN(C=O)NC(=O)C1CCCN1.
What is the InChIKey of N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine?
The InChIKey is BAQMBACLTZMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C4H9N/c1-2-6-12(7-13)11-9(14)8-4-3-5-10-8;1-2-4-5-3-1/h2,7-8,10H,1,3-6H2,(H,11,14);5H,1-4H2.
What are the key properties of N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine?
N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine has a molecular weight of 268.36 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine is sourced from PubChem (CID 143394738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).