3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21N3O3 — CID 9395752

IUPAC3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)NC3(CCCCC3)C2=O)o1
InChIInChI=1S/C17H21N3O3/c1-11-9-13(11)14-6-5-12(23-14)10-18-20-15(21)17(19-16(20)22)7-3-2-4-8-17/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,19,22)/b18-10-/t11-,13-/m1/s1
InChIKeyKADJCKQPAGEALV-YXKOMOBRSA-N
MW315.37 g/mol
LogP2.99
Rot. Bonds3

About 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9395752) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9395752
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)NC3(CCCCC3)C2=O)o1
InChIInChI=1S/C17H21N3O3/c1-11-9-13(11)14-6-5-12(23-14)10-18-20-15(21)17(19-16(20)22)7-3-2-4-8-17/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,19,22)/b18-10-/t11-,13-/m1/s1
InChIKeyKADJCKQPAGEALV-YXKOMOBRSA-N
XLogP2.99
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9395752) is 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)NC3(CCCCC3)C2=O)o1.
What is the InChIKey of 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KADJCKQPAGEALV-YXKOMOBRSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-9-13(11)14-6-5-12(23-14)10-18-20-15(21)17(19-16(20)22)7-3-2-4-8-17/h5-6,10-11,13H,2-4,7-9H2,1H3,(H,19,22)/b18-10-/t11-,13-/m1/s1.
What are the key properties of 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9395752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).