(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one

C14H25N5O — CID 145062560

IUPAC(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
SMILES[H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(N/C=C(/C)N)C1
InChIInChI=1S/C14H25N5O/c1-9(2)12(16)6-13(17)14(20)19-5-4-11(8-19)18-7-10(3)15/h6-7,9,11,17-18H,4-5,8,15-16H2,1-3H3/b10-7-,12-6-,17-13+
InChIKeyKXTFGHSAXHDMCN-GGWYRHGASA-N
MW279.39 g/mol
LogP0.52
Rot. Bonds5

About (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one

(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one (PubChem CID 145062560) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
PubChem CID145062560
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
SMILES[H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(N/C=C(/C)N)C1
InChIInChI=1S/C14H25N5O/c1-9(2)12(16)6-13(17)14(20)19-5-4-11(8-19)18-7-10(3)15/h6-7,9,11,17-18H,4-5,8,15-16H2,1-3H3/b10-7-,12-6-,17-13+
InChIKeyKXTFGHSAXHDMCN-GGWYRHGASA-N
XLogP0.52
TPSA108.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The IUPAC name of (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one (CID 145062560) is (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one.
What is the SMILES notation for (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The canonical SMILES for (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one is [H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(N/C=C(/C)N)C1.
What is the InChIKey of (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The InChIKey is KXTFGHSAXHDMCN-GGWYRHGASA-N. The full InChI is InChI=1S/C14H25N5O/c1-9(2)12(16)6-13(17)14(20)19-5-4-11(8-19)18-7-10(3)15/h6-7,9,11,17-18H,4-5,8,15-16H2,1-3H3/b10-7-,12-6-,17-13+.
What are the key properties of (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one has a molecular weight of 279.39 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one is sourced from PubChem (CID 145062560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).