[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea

C14H15N3O2 — CID 139991528

IUPAC[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H15N3O2/c1-2-11(16-17-14(15)19)13-10-6-4-3-5-9(10)7-8-12(13)18/h3-8,18H,2H2,1H3,(H3,15,17,19)
InChIKeyXPVCIYLJTBPNAW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.33
Rot. Bonds3

About [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea

[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea (PubChem CID 139991528) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea
PubChem CID139991528
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H15N3O2/c1-2-11(16-17-14(15)19)13-10-6-4-3-5-9(10)7-8-12(13)18/h3-8,18H,2H2,1H3,(H3,15,17,19)
InChIKeyXPVCIYLJTBPNAW-UHFFFAOYSA-N
XLogP2.33
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
4-amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 135436158
[(2-Oxonaphthalen-1-ylidene)methylamino]urea
CID 135606556
1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
CID 135676008
Acetic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135715601
Acetic acid, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 3348874
[(E)-(5-hydroxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602932
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 135509648
2-Hydroxynaphthaldehyd-thiosemicarbazon
CID 690751
3-ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one
CID 135493982
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea (CID 139991528) is [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea is CCC(=NNC(N)=O)c1c(O)ccc2ccccc12.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea?
The InChIKey is XPVCIYLJTBPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-11(16-17-14(15)19)13-10-6-4-3-5-9(10)7-8-12(13)18/h3-8,18H,2H2,1H3,(H3,15,17,19).
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea?
[1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea has a molecular weight of 257.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxynaphthalen-1-yl)propylideneamino]urea is sourced from PubChem (CID 139991528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).